USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=24 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 107 SER OG : rot 94:sc= 0.597 USER MOD Set 1.2: A 122 TYR OH : rot 29:sc= 0.704 USER MOD Set 2.1: A 102 THR OG1 : rot 87:sc= 0.718 USER MOD Set 2.2: A 105 GLN : amide:sc= 1.09 K(o=1.8,f=-6.3!) USER MOD Single : A 72 LYS NZ :NH3+ -159:sc= 1.22 (180deg=0.991) USER MOD Single : A 76 LYS NZ :NH3+ 155:sc= 0.678 (180deg=0.407) USER MOD Single : A 77 LYS NZ :NH3+ 167:sc= -0.0018 (180deg=-0.146) USER MOD Single : A 78 MET CE :methyl -167:sc= -0.0482 (180deg=-0.306) USER MOD Single : A 80 LYS NZ :NH3+ 139:sc= 0.489 (180deg=-1.15) USER MOD Single : A 83 MET CE :methyl 153:sc= -0.196 (180deg=-0.615) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 165:sc= 1.18 (180deg=0.0185!) USER MOD Single : A 93 TYR OH : rot 180:sc=-0.00305 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.43 F(o=-1.6,f=-0.43) USER MOD Single : A 95 LYS NZ :NH3+ -175:sc= 1.16 (180deg=1.05) USER MOD Single : A 99 LYS NZ :NH3+ 172:sc= 0.05 (180deg=-0.335) USER MOD Single : A 101 TYR OH : rot -109:sc= 1.25 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 154:sc= 0.618 (180deg=-0.458!) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0.468 K(o=0.47,f=-4.8!) USER MOD Single : A 125 TYR OH : rot -168:sc= 0.838 USER MOD Single : A 126 MET CE :methyl 164:sc= -0.0835 (180deg=-0.434) USER MOD Single : A 127 THR OG1 : rot -89:sc= 1.31 USER MOD Single : A 128 TYR OH : rot -137:sc= -1.33! USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 7.499 -8.854 1.089 1.00 0.00 N ATOM 152 CA GLU A 71 7.441 -7.392 1.140 1.00 0.00 C ATOM 153 C GLU A 71 6.008 -7.121 1.501 1.00 0.00 C ATOM 154 O GLU A 71 5.705 -6.513 2.498 1.00 0.00 O ATOM 155 CB GLU A 71 7.782 -6.748 -0.239 1.00 0.00 C ATOM 156 CG GLU A 71 8.085 -5.227 -0.218 1.00 0.00 C ATOM 157 CD GLU A 71 6.918 -4.340 0.210 1.00 0.00 C ATOM 158 OE1 GLU A 71 6.764 -4.097 1.421 1.00 0.00 O ATOM 159 OE2 GLU A 71 6.152 -3.893 -0.670 1.00 0.00 O ATOM 0 HA GLU A 71 8.161 -6.972 1.843 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.646 -7.265 -0.657 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.947 -6.923 -0.917 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.923 -5.048 0.456 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.406 -4.922 -1.214 1.00 0.00 H new ATOM 166 N LYS A 72 5.143 -7.759 0.726 1.00 0.00 N ATOM 167 CA LYS A 72 3.686 -7.709 0.873 1.00 0.00 C ATOM 168 C LYS A 72 3.156 -7.932 2.296 1.00 0.00 C ATOM 169 O LYS A 72 2.088 -7.479 2.630 1.00 0.00 O ATOM 170 CB LYS A 72 3.024 -8.663 -0.110 1.00 0.00 C ATOM 171 CG LYS A 72 3.758 -9.969 -0.326 1.00 0.00 C ATOM 172 CD LYS A 72 2.883 -10.940 -1.086 1.00 0.00 C ATOM 173 CE LYS A 72 3.671 -11.751 -2.112 1.00 0.00 C ATOM 174 NZ LYS A 72 4.128 -10.908 -3.249 1.00 0.00 N ATOM 0 H LYS A 72 5.442 -8.348 -0.051 1.00 0.00 H new ATOM 0 HA LYS A 72 3.413 -6.679 0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.017 -8.884 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 72 2.921 -8.158 -1.070 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.680 -9.789 -0.879 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.041 -10.399 0.635 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.401 -11.619 -0.382 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.090 -10.391 -1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.534 -12.208 -1.629 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.049 -12.563 -2.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.333 -11.513 -4.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.382 -10.228 -3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.989 -10.393 -2.975 1.00 0.00 H new ATOM 188 N ALA A 73 3.878 -8.644 3.110 1.00 0.00 N ATOM 189 CA ALA A 73 3.460 -8.825 4.492 1.00 0.00 C ATOM 190 C ALA A 73 3.786 -7.577 5.346 1.00 0.00 C ATOM 191 O ALA A 73 3.032 -7.223 6.241 1.00 0.00 O ATOM 192 CB ALA A 73 4.101 -10.069 5.085 1.00 0.00 C ATOM 0 H ALA A 73 4.750 -9.109 2.857 1.00 0.00 H new ATOM 0 HA ALA A 73 2.378 -8.958 4.501 1.00 0.00 H new ATOM 0 HB1 ALA A 73 3.777 -10.188 6.119 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.801 -10.943 4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.186 -9.969 5.054 1.00 0.00 H new ATOM 198 N ALA A 74 4.870 -6.896 5.006 1.00 0.00 N ATOM 199 CA ALA A 74 5.357 -5.747 5.762 1.00 0.00 C ATOM 200 C ALA A 74 4.657 -4.470 5.331 1.00 0.00 C ATOM 201 O ALA A 74 4.305 -3.636 6.171 1.00 0.00 O ATOM 202 CB ALA A 74 6.866 -5.610 5.607 1.00 0.00 C ATOM 0 H ALA A 74 5.442 -7.125 4.193 1.00 0.00 H new ATOM 0 HA ALA A 74 5.129 -5.914 6.815 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.214 -4.748 6.177 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.353 -6.511 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.113 -5.472 4.554 1.00 0.00 H new ATOM 208 N VAL A 75 4.440 -4.321 4.026 1.00 0.00 N ATOM 209 CA VAL A 75 3.730 -3.161 3.472 1.00 0.00 C ATOM 210 C VAL A 75 2.309 -3.060 4.085 1.00 0.00 C ATOM 211 O VAL A 75 1.757 -1.965 4.258 1.00 0.00 O ATOM 212 CB VAL A 75 3.647 -3.249 1.913 1.00 0.00 C ATOM 213 CG1 VAL A 75 2.752 -4.361 1.449 1.00 0.00 C ATOM 214 CG2 VAL A 75 3.243 -1.929 1.292 1.00 0.00 C ATOM 0 H VAL A 75 4.747 -4.994 3.324 1.00 0.00 H new ATOM 0 HA VAL A 75 4.289 -2.262 3.730 1.00 0.00 H new ATOM 0 HB VAL A 75 4.654 -3.482 1.568 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.729 -4.379 0.359 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.132 -5.313 1.820 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.744 -4.200 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.198 -2.036 0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.264 -1.634 1.669 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.976 -1.165 1.551 1.00 0.00 H new ATOM 224 N LYS A 76 1.762 -4.210 4.486 1.00 0.00 N ATOM 225 CA LYS A 76 0.444 -4.268 5.084 1.00 0.00 C ATOM 226 C LYS A 76 0.403 -3.684 6.487 1.00 0.00 C ATOM 227 O LYS A 76 -0.668 -3.348 6.989 1.00 0.00 O ATOM 228 CB LYS A 76 -0.169 -5.655 5.034 1.00 0.00 C ATOM 229 CG LYS A 76 -0.475 -6.109 3.622 1.00 0.00 C ATOM 230 CD LYS A 76 -1.303 -7.379 3.593 1.00 0.00 C ATOM 231 CE LYS A 76 -0.616 -8.562 4.224 1.00 0.00 C ATOM 232 NZ LYS A 76 -1.520 -9.733 4.242 1.00 0.00 N ATOM 0 H LYS A 76 2.223 -5.116 4.402 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.181 -3.628 4.461 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.513 -6.366 5.500 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.088 -5.663 5.621 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -1.009 -5.318 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.459 -6.275 3.085 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.246 -7.200 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -1.547 -7.620 2.558 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.291 -8.803 3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.311 -8.314 5.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.956 -10.607 4.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.129 -9.689 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.112 -9.728 3.387 1.00 0.00 H new ATOM 246 N LYS A 77 1.563 -3.550 7.109 1.00 0.00 N ATOM 247 CA LYS A 77 1.663 -2.892 8.404 1.00 0.00 C ATOM 248 C LYS A 77 1.305 -1.421 8.201 1.00 0.00 C ATOM 249 O LYS A 77 0.606 -0.807 9.016 1.00 0.00 O ATOM 250 CB LYS A 77 3.109 -3.080 8.979 1.00 0.00 C ATOM 251 CG LYS A 77 3.450 -2.402 10.333 1.00 0.00 C ATOM 252 CD LYS A 77 3.636 -0.883 10.211 1.00 0.00 C ATOM 253 CE LYS A 77 4.033 -0.241 11.529 1.00 0.00 C ATOM 254 NZ LYS A 77 5.364 -0.707 11.994 1.00 0.00 N ATOM 0 H LYS A 77 2.451 -3.888 6.738 1.00 0.00 H new ATOM 0 HA LYS A 77 0.976 -3.326 9.131 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.289 -4.150 9.087 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.815 -2.712 8.234 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.654 -2.609 11.048 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.362 -2.843 10.735 1.00 0.00 H new ATOM 0 HD2 LYS A 77 4.400 -0.672 9.463 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.709 -0.433 9.856 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.048 0.843 11.415 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.283 -0.472 12.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.696 -0.095 12.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.289 -1.686 12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.041 -0.667 11.205 1.00 0.00 H new ATOM 268 N MET A 78 1.755 -0.882 7.082 1.00 0.00 N ATOM 269 CA MET A 78 1.503 0.500 6.740 1.00 0.00 C ATOM 270 C MET A 78 0.094 0.632 6.205 1.00 0.00 C ATOM 271 O MET A 78 -0.554 1.662 6.368 1.00 0.00 O ATOM 272 CB MET A 78 2.525 1.002 5.715 1.00 0.00 C ATOM 273 CG MET A 78 3.972 0.890 6.185 1.00 0.00 C ATOM 274 SD MET A 78 4.301 1.799 7.723 1.00 0.00 S ATOM 275 CE MET A 78 3.960 3.488 7.212 1.00 0.00 C ATOM 0 H MET A 78 2.303 -1.391 6.389 1.00 0.00 H new ATOM 0 HA MET A 78 1.605 1.115 7.634 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.408 0.436 4.791 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.308 2.044 5.480 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.218 -0.161 6.333 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.631 1.265 5.402 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.335 4.179 7.967 1.00 0.00 H new ATOM 0 HE2 MET A 78 4.454 3.687 6.261 1.00 0.00 H new ATOM 0 HE3 MET A 78 2.884 3.624 7.098 1.00 0.00 H new ATOM 285 N ALA A 79 -0.383 -0.437 5.591 1.00 0.00 N ATOM 286 CA ALA A 79 -1.734 -0.498 5.086 1.00 0.00 C ATOM 287 C ALA A 79 -2.730 -0.453 6.248 1.00 0.00 C ATOM 288 O ALA A 79 -3.709 0.294 6.212 1.00 0.00 O ATOM 289 CB ALA A 79 -1.931 -1.736 4.230 1.00 0.00 C ATOM 0 H ALA A 79 0.160 -1.285 5.431 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.915 0.369 4.451 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.956 -1.763 3.859 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.241 -1.709 3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.738 -2.626 4.828 1.00 0.00 H new ATOM 295 N LYS A 80 -2.446 -1.230 7.299 1.00 0.00 N ATOM 296 CA LYS A 80 -3.232 -1.206 8.539 1.00 0.00 C ATOM 297 C LYS A 80 -3.233 0.186 9.133 1.00 0.00 C ATOM 298 O LYS A 80 -4.226 0.637 9.737 1.00 0.00 O ATOM 299 CB LYS A 80 -2.682 -2.250 9.575 1.00 0.00 C ATOM 300 CG LYS A 80 -3.047 -1.969 11.061 1.00 0.00 C ATOM 301 CD LYS A 80 -2.004 -1.041 11.747 1.00 0.00 C ATOM 302 CE LYS A 80 -2.550 -0.373 13.013 1.00 0.00 C ATOM 303 NZ LYS A 80 -3.566 0.688 12.711 1.00 0.00 N ATOM 0 H LYS A 80 -1.669 -1.890 7.315 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.258 -1.483 8.298 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.059 -3.237 9.306 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.596 -2.288 9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.033 -1.507 11.112 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -3.108 -2.912 11.605 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.118 -1.623 12.001 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.689 -0.272 11.042 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.001 -1.131 13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.725 0.068 13.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.347 0.626 13.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.120 1.625 12.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -3.937 0.550 11.749 1.00 0.00 H new ATOM 317 N ALA A 81 -2.121 0.842 8.984 1.00 0.00 N ATOM 318 CA ALA A 81 -1.922 2.144 9.518 1.00 0.00 C ATOM 319 C ALA A 81 -2.739 3.188 8.771 1.00 0.00 C ATOM 320 O ALA A 81 -2.970 4.244 9.277 1.00 0.00 O ATOM 321 CB ALA A 81 -0.449 2.485 9.552 1.00 0.00 C ATOM 0 H ALA A 81 -1.315 0.475 8.477 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.284 2.150 10.546 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.317 3.485 9.964 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.077 1.763 10.176 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.045 2.453 8.540 1.00 0.00 H new ATOM 327 N ILE A 82 -3.088 2.924 7.545 1.00 0.00 N ATOM 328 CA ILE A 82 -3.984 3.816 6.823 1.00 0.00 C ATOM 329 C ILE A 82 -5.434 3.441 7.124 1.00 0.00 C ATOM 330 O ILE A 82 -6.267 4.294 7.337 1.00 0.00 O ATOM 331 CB ILE A 82 -3.736 3.778 5.303 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.298 4.189 4.994 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.731 4.682 4.559 1.00 0.00 C ATOM 334 CD1 ILE A 82 -1.951 4.106 3.534 1.00 0.00 C ATOM 0 H ILE A 82 -2.776 2.109 7.018 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.785 4.833 7.161 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.890 2.756 4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.138 5.210 5.340 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.617 3.551 5.558 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.533 4.636 3.488 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.748 4.342 4.755 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.618 5.709 4.905 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.915 4.412 3.388 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.078 3.080 3.187 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.607 4.765 2.966 1.00 0.00 H new ATOM 346 N MET A 83 -5.687 2.140 7.138 1.00 0.00 N ATOM 347 CA MET A 83 -7.014 1.546 7.406 1.00 0.00 C ATOM 348 C MET A 83 -7.630 2.095 8.700 1.00 0.00 C ATOM 349 O MET A 83 -8.804 2.444 8.734 1.00 0.00 O ATOM 350 CB MET A 83 -6.837 0.027 7.573 1.00 0.00 C ATOM 351 CG MET A 83 -8.118 -0.737 7.858 1.00 0.00 C ATOM 352 SD MET A 83 -8.994 -1.236 6.375 1.00 0.00 S ATOM 353 CE MET A 83 -10.496 -1.859 7.118 1.00 0.00 C ATOM 0 H MET A 83 -4.966 1.441 6.960 1.00 0.00 H new ATOM 0 HA MET A 83 -7.674 1.792 6.574 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.386 -0.374 6.665 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.134 -0.155 8.386 1.00 0.00 H new ATOM 0 HG2 MET A 83 -7.881 -1.623 8.446 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.775 -0.116 8.468 1.00 0.00 H new ATOM 0 HE1 MET A 83 -11.318 -1.767 6.409 1.00 0.00 H new ATOM 0 HE2 MET A 83 -10.362 -2.908 7.384 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.724 -1.283 8.015 1.00 0.00 H new ATOM 363 N ALA A 84 -6.834 2.140 9.748 1.00 0.00 N ATOM 364 CA ALA A 84 -7.329 2.539 11.054 1.00 0.00 C ATOM 365 C ALA A 84 -6.954 3.970 11.415 1.00 0.00 C ATOM 366 O ALA A 84 -7.708 4.667 12.083 1.00 0.00 O ATOM 367 CB ALA A 84 -6.796 1.586 12.108 1.00 0.00 C ATOM 0 H ALA A 84 -5.842 1.906 9.724 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.417 2.496 11.016 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -7.167 1.884 13.089 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -7.132 0.573 11.886 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.706 1.615 12.108 1.00 0.00 H new ATOM 373 N ASP A 85 -5.803 4.403 10.969 1.00 0.00 N ATOM 374 CA ASP A 85 -5.281 5.698 11.347 1.00 0.00 C ATOM 375 C ASP A 85 -4.790 6.505 10.124 1.00 0.00 C ATOM 376 O ASP A 85 -3.582 6.795 9.958 1.00 0.00 O ATOM 377 CB ASP A 85 -4.228 5.565 12.505 1.00 0.00 C ATOM 378 CG ASP A 85 -3.156 4.455 12.337 1.00 0.00 C ATOM 379 OD1 ASP A 85 -3.504 3.235 12.205 1.00 0.00 O ATOM 380 OD2 ASP A 85 -1.954 4.777 12.377 1.00 0.00 O ATOM 0 H ASP A 85 -5.202 3.874 10.337 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.097 6.293 11.757 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -3.716 6.521 12.613 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.765 5.384 13.436 1.00 0.00 H new ATOM 385 N PRO A 86 -5.756 6.967 9.279 1.00 0.00 N ATOM 386 CA PRO A 86 -5.493 7.543 7.945 1.00 0.00 C ATOM 387 C PRO A 86 -4.902 8.956 7.944 1.00 0.00 C ATOM 388 O PRO A 86 -4.802 9.578 6.899 1.00 0.00 O ATOM 389 CB PRO A 86 -6.880 7.565 7.264 1.00 0.00 C ATOM 390 CG PRO A 86 -7.832 6.918 8.221 1.00 0.00 C ATOM 391 CD PRO A 86 -7.202 6.989 9.576 1.00 0.00 C ATOM 0 HA PRO A 86 -4.737 6.944 7.438 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.187 8.587 7.042 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -6.856 7.026 6.317 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.794 7.431 8.215 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.021 5.883 7.937 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.490 7.897 10.107 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.497 6.147 10.202 1.00 0.00 H new ATOM 399 N SER A 87 -4.467 9.432 9.082 1.00 0.00 N ATOM 400 CA SER A 87 -3.898 10.772 9.182 1.00 0.00 C ATOM 401 C SER A 87 -2.580 10.863 8.377 1.00 0.00 C ATOM 402 O SER A 87 -2.207 11.915 7.892 1.00 0.00 O ATOM 403 CB SER A 87 -3.666 11.120 10.664 1.00 0.00 C ATOM 404 OG SER A 87 -3.190 12.439 10.836 1.00 0.00 O ATOM 0 H SER A 87 -4.492 8.917 9.962 1.00 0.00 H new ATOM 0 HA SER A 87 -4.596 11.493 8.757 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.599 10.998 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 87 -2.950 10.419 11.092 1.00 0.00 H new ATOM 0 HG SER A 87 -3.058 12.617 11.791 1.00 0.00 H new ATOM 410 N LYS A 88 -1.914 9.735 8.233 1.00 0.00 N ATOM 411 CA LYS A 88 -0.628 9.646 7.528 1.00 0.00 C ATOM 412 C LYS A 88 -0.817 9.401 6.029 1.00 0.00 C ATOM 413 O LYS A 88 0.145 9.399 5.278 1.00 0.00 O ATOM 414 CB LYS A 88 0.148 8.464 8.074 1.00 0.00 C ATOM 415 CG LYS A 88 -0.546 7.140 7.766 1.00 0.00 C ATOM 416 CD LYS A 88 0.238 5.952 8.225 1.00 0.00 C ATOM 417 CE LYS A 88 0.340 5.911 9.738 1.00 0.00 C ATOM 418 NZ LYS A 88 -0.999 5.865 10.343 1.00 0.00 N ATOM 0 H LYS A 88 -2.243 8.842 8.600 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.105 10.591 7.678 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.150 8.458 7.645 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.263 8.572 9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.526 7.129 8.244 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -0.714 7.065 6.692 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.237 5.039 7.865 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.238 5.984 7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.915 5.038 10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.877 6.789 10.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -0.919 5.584 11.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -1.440 6.805 10.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -1.586 5.173 9.835 1.00 0.00 H new ATOM 432 N ALA A 89 -2.058 9.158 5.626 1.00 0.00 N ATOM 433 CA ALA A 89 -2.365 8.613 4.304 1.00 0.00 C ATOM 434 C ALA A 89 -1.767 9.366 3.122 1.00 0.00 C ATOM 435 O ALA A 89 -1.355 8.731 2.167 1.00 0.00 O ATOM 436 CB ALA A 89 -3.843 8.390 4.141 1.00 0.00 C ATOM 0 H ALA A 89 -2.881 9.332 6.203 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.855 7.650 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.043 7.984 3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.190 7.686 4.897 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.369 9.337 4.258 1.00 0.00 H new ATOM 442 N ASP A 90 -1.687 10.693 3.205 1.00 0.00 N ATOM 443 CA ASP A 90 -1.108 11.514 2.110 1.00 0.00 C ATOM 444 C ASP A 90 0.299 11.032 1.762 1.00 0.00 C ATOM 445 O ASP A 90 0.566 10.605 0.616 1.00 0.00 O ATOM 446 CB ASP A 90 -1.070 12.991 2.497 1.00 0.00 C ATOM 447 CG ASP A 90 -0.404 13.840 1.429 1.00 0.00 C ATOM 448 OD1 ASP A 90 -1.064 14.144 0.422 1.00 0.00 O ATOM 449 OD2 ASP A 90 0.775 14.197 1.608 1.00 0.00 O ATOM 0 H ASP A 90 -2.010 11.232 4.008 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.747 11.400 1.234 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.086 13.349 2.664 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.533 13.106 3.439 1.00 0.00 H new ATOM 454 N ASP A 91 1.161 11.017 2.783 1.00 0.00 N ATOM 455 CA ASP A 91 2.537 10.523 2.667 1.00 0.00 C ATOM 456 C ASP A 91 2.576 9.149 2.078 1.00 0.00 C ATOM 457 O ASP A 91 3.296 8.901 1.128 1.00 0.00 O ATOM 458 CB ASP A 91 3.257 10.491 4.040 1.00 0.00 C ATOM 459 CG ASP A 91 4.421 9.470 4.079 1.00 0.00 C ATOM 460 OD1 ASP A 91 5.484 9.689 3.450 1.00 0.00 O ATOM 461 OD2 ASP A 91 4.271 8.388 4.717 1.00 0.00 O ATOM 0 H ASP A 91 0.923 11.349 3.718 1.00 0.00 H new ATOM 0 HA ASP A 91 3.055 11.220 2.007 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.643 11.485 4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.535 10.244 4.819 1.00 0.00 H new ATOM 466 N VAL A 92 1.756 8.272 2.594 1.00 0.00 N ATOM 467 CA VAL A 92 1.840 6.898 2.218 1.00 0.00 C ATOM 468 C VAL A 92 1.382 6.680 0.776 1.00 0.00 C ATOM 469 O VAL A 92 1.948 5.864 0.076 1.00 0.00 O ATOM 470 CB VAL A 92 1.105 5.967 3.204 1.00 0.00 C ATOM 471 CG1 VAL A 92 1.462 4.517 2.929 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.443 6.323 4.642 1.00 0.00 C ATOM 0 H VAL A 92 1.027 8.490 3.273 1.00 0.00 H new ATOM 0 HA VAL A 92 2.894 6.625 2.269 1.00 0.00 H new ATOM 0 HB VAL A 92 0.033 6.101 3.059 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.935 3.873 3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.170 4.257 1.911 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.537 4.379 3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.912 5.652 5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.517 6.221 4.799 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.143 7.352 4.842 1.00 0.00 H new ATOM 482 N TYR A 93 0.417 7.466 0.317 1.00 0.00 N ATOM 483 CA TYR A 93 -0.057 7.340 -1.062 1.00 0.00 C ATOM 484 C TYR A 93 1.011 7.808 -2.013 1.00 0.00 C ATOM 485 O TYR A 93 1.388 7.104 -2.943 1.00 0.00 O ATOM 486 CB TYR A 93 -1.321 8.166 -1.334 1.00 0.00 C ATOM 487 CG TYR A 93 -2.573 7.745 -0.610 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.592 6.674 0.272 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.745 8.441 -0.812 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.740 6.320 0.927 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.895 8.097 -0.160 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.891 7.033 0.714 1.00 0.00 C ATOM 493 OH TYR A 93 -6.041 6.684 1.385 1.00 0.00 O ATOM 0 H TYR A 93 -0.049 8.188 0.866 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.293 6.286 -1.212 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.111 9.204 -1.076 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.522 8.138 -2.405 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.687 6.111 0.444 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.755 9.274 -1.499 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.739 5.482 1.609 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.803 8.657 -0.329 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.768 7.287 1.124 1.00 0.00 H new ATOM 503 N GLN A 94 1.511 8.990 -1.744 1.00 0.00 N ATOM 504 CA GLN A 94 2.506 9.635 -2.575 1.00 0.00 C ATOM 505 C GLN A 94 3.799 8.814 -2.569 1.00 0.00 C ATOM 506 O GLN A 94 4.382 8.542 -3.609 1.00 0.00 O ATOM 507 CB GLN A 94 2.704 11.091 -2.054 1.00 0.00 C ATOM 508 CG GLN A 94 3.634 12.013 -2.863 1.00 0.00 C ATOM 509 CD GLN A 94 5.123 11.737 -2.686 1.00 0.00 C ATOM 510 OE1 GLN A 94 5.519 11.301 -1.510 1.00 0.00 O flip ATOM 511 NE2 GLN A 94 5.908 11.952 -3.593 1.00 0.00 N flip ATOM 0 H GLN A 94 1.236 9.541 -0.931 1.00 0.00 H new ATOM 0 HA GLN A 94 2.182 9.689 -3.614 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.724 11.565 -1.999 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.088 11.035 -1.036 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.385 11.919 -3.920 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.434 13.046 -2.579 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.567 12.290 -4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.906 11.794 -3.452 1.00 0.00 H new ATOM 520 N LYS A 95 4.175 8.363 -1.401 1.00 0.00 N ATOM 521 CA LYS A 95 5.397 7.628 -1.207 1.00 0.00 C ATOM 522 C LYS A 95 5.300 6.153 -1.667 1.00 0.00 C ATOM 523 O LYS A 95 6.318 5.479 -1.826 1.00 0.00 O ATOM 524 CB LYS A 95 5.937 7.879 0.227 1.00 0.00 C ATOM 525 CG LYS A 95 7.158 7.095 0.715 1.00 0.00 C ATOM 526 CD LYS A 95 6.776 5.771 1.386 1.00 0.00 C ATOM 527 CE LYS A 95 5.743 5.986 2.516 1.00 0.00 C ATOM 528 NZ LYS A 95 6.136 7.071 3.474 1.00 0.00 N ATOM 0 H LYS A 95 3.634 8.498 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 95 6.166 8.011 -1.878 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.175 8.940 0.306 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.122 7.683 0.923 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.818 6.894 -0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.721 7.707 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.365 5.090 0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.669 5.297 1.793 1.00 0.00 H new ATOM 0 HE2 LYS A 95 4.777 6.231 2.075 1.00 0.00 H new ATOM 0 HE3 LYS A 95 5.615 5.053 3.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.449 7.111 4.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 7.082 6.871 3.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.149 7.985 2.977 1.00 0.00 H new ATOM 542 N TRP A 96 4.091 5.639 -1.833 1.00 0.00 N ATOM 543 CA TRP A 96 3.924 4.334 -2.484 1.00 0.00 C ATOM 544 C TRP A 96 3.956 4.512 -3.991 1.00 0.00 C ATOM 545 O TRP A 96 4.472 3.654 -4.725 1.00 0.00 O ATOM 546 CB TRP A 96 2.632 3.603 -2.080 1.00 0.00 C ATOM 547 CG TRP A 96 2.687 2.775 -0.815 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.793 2.251 -0.197 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.555 2.311 -0.062 1.00 0.00 C ATOM 550 NE1 TRP A 96 3.411 1.513 0.907 1.00 0.00 N ATOM 551 CE2 TRP A 96 2.043 1.536 1.005 1.00 0.00 C ATOM 552 CE3 TRP A 96 0.171 2.487 -0.185 1.00 0.00 C ATOM 553 CZ2 TRP A 96 1.199 0.938 1.941 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -0.661 1.892 0.741 1.00 0.00 C ATOM 555 CH2 TRP A 96 -0.146 1.127 1.792 1.00 0.00 C ATOM 0 H TRP A 96 3.224 6.088 -1.536 1.00 0.00 H new ATOM 0 HA TRP A 96 4.752 3.710 -2.147 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.842 4.346 -1.967 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.340 2.950 -2.902 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.812 2.394 -0.525 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.043 1.030 1.545 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.238 3.078 -0.991 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.594 0.347 2.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -1.730 2.020 0.652 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.825 0.676 2.500 1.00 0.00 H new ATOM 566 N ALA A 97 3.441 5.638 -4.445 1.00 0.00 N ATOM 567 CA ALA A 97 3.412 5.962 -5.853 1.00 0.00 C ATOM 568 C ALA A 97 4.820 6.111 -6.409 1.00 0.00 C ATOM 569 O ALA A 97 5.101 5.651 -7.512 1.00 0.00 O ATOM 570 CB ALA A 97 2.595 7.221 -6.105 1.00 0.00 C ATOM 0 H ALA A 97 3.031 6.353 -3.845 1.00 0.00 H new ATOM 0 HA ALA A 97 2.930 5.136 -6.375 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.589 7.443 -7.172 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.572 7.066 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.038 8.057 -5.563 1.00 0.00 H new ATOM 576 N ASP A 98 5.729 6.691 -5.621 1.00 0.00 N ATOM 577 CA ASP A 98 7.112 6.884 -6.096 1.00 0.00 C ATOM 578 C ASP A 98 7.907 5.580 -5.937 1.00 0.00 C ATOM 579 O ASP A 98 9.022 5.452 -6.419 1.00 0.00 O ATOM 580 CB ASP A 98 7.837 8.071 -5.405 1.00 0.00 C ATOM 581 CG ASP A 98 8.398 7.737 -4.046 1.00 0.00 C ATOM 582 OD1 ASP A 98 7.638 7.569 -3.098 1.00 0.00 O ATOM 583 OD2 ASP A 98 9.629 7.579 -3.904 1.00 0.00 O ATOM 0 H ASP A 98 5.546 7.029 -4.676 1.00 0.00 H new ATOM 0 HA ASP A 98 7.055 7.146 -7.153 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.648 8.412 -6.048 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.139 8.902 -5.305 1.00 0.00 H new ATOM 588 N LYS A 99 7.304 4.597 -5.255 1.00 0.00 N ATOM 589 CA LYS A 99 7.895 3.258 -5.167 1.00 0.00 C ATOM 590 C LYS A 99 7.505 2.475 -6.408 1.00 0.00 C ATOM 591 O LYS A 99 8.069 1.430 -6.698 1.00 0.00 O ATOM 592 CB LYS A 99 7.433 2.467 -3.917 1.00 0.00 C ATOM 593 CG LYS A 99 7.797 3.017 -2.517 1.00 0.00 C ATOM 594 CD LYS A 99 9.308 3.139 -2.250 1.00 0.00 C ATOM 595 CE LYS A 99 9.914 4.423 -2.819 1.00 0.00 C ATOM 596 NZ LYS A 99 9.311 5.631 -2.218 1.00 0.00 N ATOM 0 H LYS A 99 6.417 4.703 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 99 8.975 3.385 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.348 2.376 -3.965 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.841 1.459 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.340 3.999 -2.397 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.359 2.366 -1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.485 3.106 -1.175 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.819 2.279 -2.684 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.989 4.427 -2.641 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.770 4.445 -3.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.838 6.473 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.320 5.712 -2.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.350 5.559 -1.181 1.00 0.00 H new ATOM 610 N GLY A 100 6.525 2.994 -7.122 1.00 0.00 N ATOM 611 CA GLY A 100 6.073 2.367 -8.330 1.00 0.00 C ATOM 612 C GLY A 100 4.928 1.417 -8.090 1.00 0.00 C ATOM 613 O GLY A 100 4.695 0.506 -8.884 1.00 0.00 O ATOM 0 H GLY A 100 6.030 3.852 -6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.763 3.134 -9.040 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.901 1.826 -8.787 1.00 0.00 H new ATOM 617 N TYR A 101 4.205 1.606 -7.000 1.00 0.00 N ATOM 618 CA TYR A 101 3.093 0.735 -6.733 1.00 0.00 C ATOM 619 C TYR A 101 1.824 1.241 -7.382 1.00 0.00 C ATOM 620 O TYR A 101 1.280 2.299 -7.021 1.00 0.00 O ATOM 621 CB TYR A 101 2.874 0.495 -5.228 1.00 0.00 C ATOM 622 CG TYR A 101 3.993 -0.266 -4.537 1.00 0.00 C ATOM 623 CD1 TYR A 101 4.632 -1.328 -5.168 1.00 0.00 C ATOM 624 CD2 TYR A 101 4.410 0.077 -3.256 1.00 0.00 C ATOM 625 CE1 TYR A 101 5.643 -2.023 -4.548 1.00 0.00 C ATOM 626 CE2 TYR A 101 5.428 -0.621 -2.625 1.00 0.00 C ATOM 627 CZ TYR A 101 6.038 -1.672 -3.280 1.00 0.00 C ATOM 628 OH TYR A 101 7.051 -2.365 -2.677 1.00 0.00 O ATOM 0 H TYR A 101 4.367 2.337 -6.307 1.00 0.00 H new ATOM 0 HA TYR A 101 3.348 -0.227 -7.178 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.750 1.459 -4.735 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.942 -0.054 -5.093 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.328 -1.612 -6.165 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.933 0.900 -2.744 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.126 -2.844 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.741 -0.345 -1.629 1.00 0.00 H new ATOM 0 HH TYR A 101 6.686 -2.911 -1.950 1.00 0.00 H new ATOM 638 N THR A 102 1.354 0.495 -8.337 1.00 0.00 N ATOM 639 CA THR A 102 0.112 0.789 -8.966 1.00 0.00 C ATOM 640 C THR A 102 -0.989 0.057 -8.185 1.00 0.00 C ATOM 641 O THR A 102 -0.742 -1.031 -7.651 1.00 0.00 O ATOM 642 CB THR A 102 0.123 0.325 -10.443 1.00 0.00 C ATOM 643 OG1 THR A 102 1.319 0.791 -11.076 1.00 0.00 O ATOM 644 CG2 THR A 102 -1.079 0.882 -11.203 1.00 0.00 C ATOM 0 H THR A 102 1.825 -0.334 -8.698 1.00 0.00 H new ATOM 0 HA THR A 102 -0.066 1.864 -8.962 1.00 0.00 H new ATOM 0 HB THR A 102 0.077 -0.764 -10.459 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.040 0.143 -10.930 1.00 0.00 H new ATOM 0 HG21 THR A 102 -1.046 0.540 -12.237 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.999 0.533 -10.735 1.00 0.00 H new ATOM 0 HG23 THR A 102 -1.051 1.971 -11.180 1.00 0.00 H new ATOM 652 N LEU A 103 -2.164 0.667 -8.094 1.00 0.00 N ATOM 653 CA LEU A 103 -3.348 0.120 -7.391 1.00 0.00 C ATOM 654 C LEU A 103 -3.561 -1.390 -7.671 1.00 0.00 C ATOM 655 O LEU A 103 -3.764 -2.184 -6.748 1.00 0.00 O ATOM 656 CB LEU A 103 -4.594 0.907 -7.823 1.00 0.00 C ATOM 657 CG LEU A 103 -5.911 0.552 -7.128 1.00 0.00 C ATOM 658 CD1 LEU A 103 -5.865 0.922 -5.651 1.00 0.00 C ATOM 659 CD2 LEU A 103 -7.079 1.234 -7.821 1.00 0.00 C ATOM 0 H LEU A 103 -2.338 1.580 -8.514 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.177 0.226 -6.320 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.399 1.967 -7.660 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.728 0.768 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.053 -0.526 -7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.813 0.660 -5.180 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.055 0.378 -5.165 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.694 1.994 -5.550 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.007 0.971 -7.314 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.941 2.315 -7.787 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.127 0.907 -8.860 1.00 0.00 H new ATOM 671 N THR A 104 -3.447 -1.772 -8.935 1.00 0.00 N ATOM 672 CA THR A 104 -3.658 -3.154 -9.359 1.00 0.00 C ATOM 673 C THR A 104 -2.567 -4.105 -8.804 1.00 0.00 C ATOM 674 O THR A 104 -2.813 -5.281 -8.593 1.00 0.00 O ATOM 675 CB THR A 104 -3.730 -3.257 -10.916 1.00 0.00 C ATOM 676 OG1 THR A 104 -3.992 -4.598 -11.329 1.00 0.00 O ATOM 677 CG2 THR A 104 -2.436 -2.767 -11.565 1.00 0.00 C ATOM 0 H THR A 104 -3.206 -1.137 -9.696 1.00 0.00 H new ATOM 0 HA THR A 104 -4.614 -3.472 -8.944 1.00 0.00 H new ATOM 0 HB THR A 104 -4.550 -2.618 -11.243 1.00 0.00 H new ATOM 0 HG1 THR A 104 -4.034 -4.637 -12.307 1.00 0.00 H new ATOM 0 HG21 THR A 104 -2.518 -2.851 -12.649 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.265 -1.725 -11.294 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.601 -3.374 -11.216 1.00 0.00 H new ATOM 685 N GLN A 105 -1.388 -3.574 -8.539 1.00 0.00 N ATOM 686 CA GLN A 105 -0.283 -4.367 -8.020 1.00 0.00 C ATOM 687 C GLN A 105 -0.423 -4.468 -6.536 1.00 0.00 C ATOM 688 O GLN A 105 -0.152 -5.501 -5.948 1.00 0.00 O ATOM 689 CB GLN A 105 1.046 -3.710 -8.354 1.00 0.00 C ATOM 690 CG GLN A 105 1.323 -3.542 -9.829 1.00 0.00 C ATOM 691 CD GLN A 105 2.587 -2.755 -10.058 1.00 0.00 C ATOM 692 OE1 GLN A 105 2.552 -1.542 -10.138 1.00 0.00 O ATOM 693 NE2 GLN A 105 3.700 -3.426 -10.157 1.00 0.00 N ATOM 0 H GLN A 105 -1.167 -2.588 -8.675 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.307 -5.358 -8.474 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.078 -2.729 -7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.848 -4.303 -7.914 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.411 -4.521 -10.299 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.484 -3.034 -10.304 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.690 -4.443 -10.085 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.581 -2.934 -10.307 1.00 0.00 H new ATOM 702 N LEU A 106 -0.924 -3.392 -5.938 1.00 0.00 N ATOM 703 CA LEU A 106 -1.112 -3.309 -4.502 1.00 0.00 C ATOM 704 C LEU A 106 -2.130 -4.364 -4.036 1.00 0.00 C ATOM 705 O LEU A 106 -2.174 -4.733 -2.867 1.00 0.00 O ATOM 706 CB LEU A 106 -1.582 -1.903 -4.105 1.00 0.00 C ATOM 707 CG LEU A 106 -1.566 -1.598 -2.607 1.00 0.00 C ATOM 708 CD1 LEU A 106 -0.137 -1.541 -2.079 1.00 0.00 C ATOM 709 CD2 LEU A 106 -2.307 -0.316 -2.301 1.00 0.00 C ATOM 0 H LEU A 106 -1.211 -2.552 -6.441 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.157 -3.506 -4.014 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.952 -1.172 -4.613 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.597 -1.761 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.083 -2.410 -2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.152 -1.323 -1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.351 -2.501 -2.246 1.00 0.00 H new ATOM 0 HD13 LEU A 106 0.413 -0.758 -2.602 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -2.278 -0.126 -1.228 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -1.834 0.512 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.344 -0.409 -2.625 1.00 0.00 H new ATOM 721 N SER A 107 -2.910 -4.869 -4.986 1.00 0.00 N ATOM 722 CA SER A 107 -3.894 -5.893 -4.730 1.00 0.00 C ATOM 723 C SER A 107 -3.205 -7.231 -4.332 1.00 0.00 C ATOM 724 O SER A 107 -3.786 -8.051 -3.623 1.00 0.00 O ATOM 725 CB SER A 107 -4.771 -6.064 -5.971 1.00 0.00 C ATOM 726 OG SER A 107 -5.320 -4.804 -6.376 1.00 0.00 O ATOM 0 H SER A 107 -2.870 -4.571 -5.961 1.00 0.00 H new ATOM 0 HA SER A 107 -4.524 -5.594 -3.892 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.182 -6.489 -6.784 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.577 -6.767 -5.760 1.00 0.00 H new ATOM 0 HG SER A 107 -4.739 -4.396 -7.052 1.00 0.00 H new ATOM 732 N ASP A 108 -1.956 -7.427 -4.773 1.00 0.00 N ATOM 733 CA ASP A 108 -1.196 -8.622 -4.392 1.00 0.00 C ATOM 734 C ASP A 108 -0.659 -8.442 -3.007 1.00 0.00 C ATOM 735 O ASP A 108 -0.697 -9.368 -2.174 1.00 0.00 O ATOM 736 CB ASP A 108 -0.018 -8.918 -5.345 1.00 0.00 C ATOM 737 CG ASP A 108 0.857 -10.070 -4.823 1.00 0.00 C ATOM 738 OD1 ASP A 108 0.407 -11.234 -4.866 1.00 0.00 O ATOM 739 OD2 ASP A 108 1.978 -9.820 -4.312 1.00 0.00 O ATOM 0 H ASP A 108 -1.456 -6.783 -5.386 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.882 -9.467 -4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.403 -9.172 -6.333 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.591 -8.021 -5.461 1.00 0.00 H new ATOM 744 N PHE A 109 -0.189 -7.248 -2.753 1.00 0.00 N ATOM 745 CA PHE A 109 0.405 -6.907 -1.480 1.00 0.00 C ATOM 746 C PHE A 109 -0.625 -6.952 -0.359 1.00 0.00 C ATOM 747 O PHE A 109 -0.430 -7.637 0.640 1.00 0.00 O ATOM 748 CB PHE A 109 1.106 -5.539 -1.540 1.00 0.00 C ATOM 749 CG PHE A 109 2.247 -5.467 -2.536 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.002 -5.185 -3.857 1.00 0.00 C ATOM 751 CD2 PHE A 109 3.559 -5.683 -2.143 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.020 -5.117 -4.776 1.00 0.00 C ATOM 753 CE2 PHE A 109 4.591 -5.617 -3.057 1.00 0.00 C ATOM 754 CZ PHE A 109 4.319 -5.333 -4.378 1.00 0.00 C ATOM 0 H PHE A 109 -0.206 -6.480 -3.424 1.00 0.00 H new ATOM 0 HA PHE A 109 1.164 -7.657 -1.259 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.369 -4.777 -1.793 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.488 -5.296 -0.549 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.986 -5.013 -4.181 1.00 0.00 H new ATOM 0 HD2 PHE A 109 3.776 -5.906 -1.109 1.00 0.00 H new ATOM 0 HE1 PHE A 109 2.801 -4.894 -5.810 1.00 0.00 H new ATOM 0 HE2 PHE A 109 5.609 -5.787 -2.738 1.00 0.00 H new ATOM 0 HZ PHE A 109 5.122 -5.280 -5.098 1.00 0.00 H new ATOM 764 N LEU A 110 -1.756 -6.313 -0.581 1.00 0.00 N ATOM 765 CA LEU A 110 -2.844 -6.223 0.406 1.00 0.00 C ATOM 766 C LEU A 110 -3.754 -7.455 0.393 1.00 0.00 C ATOM 767 O LEU A 110 -4.904 -7.408 0.867 1.00 0.00 O ATOM 768 CB LEU A 110 -3.657 -4.935 0.191 1.00 0.00 C ATOM 769 CG LEU A 110 -3.149 -3.655 0.898 1.00 0.00 C ATOM 770 CD1 LEU A 110 -1.671 -3.396 0.645 1.00 0.00 C ATOM 771 CD2 LEU A 110 -3.972 -2.461 0.452 1.00 0.00 C ATOM 0 H LEU A 110 -1.960 -5.832 -1.457 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.382 -6.189 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.699 -4.736 -0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.679 -5.121 0.521 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.267 -3.807 1.971 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.367 -2.487 1.164 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.086 -4.238 1.015 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.500 -3.278 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.611 -1.563 0.952 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -3.879 -2.338 -0.627 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.019 -2.624 0.710 1.00 0.00 H new ATOM 783 N LYS A 111 -3.220 -8.556 -0.100 1.00 0.00 N ATOM 784 CA LYS A 111 -3.926 -9.818 -0.147 1.00 0.00 C ATOM 785 C LYS A 111 -4.332 -10.249 1.276 1.00 0.00 C ATOM 786 O LYS A 111 -3.472 -10.414 2.180 1.00 0.00 O ATOM 787 CB LYS A 111 -3.047 -10.891 -0.799 1.00 0.00 C ATOM 788 CG LYS A 111 -3.763 -12.202 -1.102 1.00 0.00 C ATOM 789 CD LYS A 111 -2.841 -13.296 -1.695 1.00 0.00 C ATOM 790 CE LYS A 111 -2.168 -12.909 -3.034 1.00 0.00 C ATOM 791 NZ LYS A 111 -0.992 -12.016 -2.867 1.00 0.00 N ATOM 0 H LYS A 111 -2.275 -8.598 -0.482 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.828 -9.697 -0.747 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.639 -10.492 -1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -2.202 -11.097 -0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.215 -12.579 -0.184 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.576 -12.008 -1.801 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.065 -13.533 -0.968 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -3.425 -14.204 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.855 -13.816 -3.551 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.902 -12.416 -3.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.345 -12.140 -3.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.310 -11.027 -2.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -0.497 -12.256 -1.984 1.00 0.00 H new ATOM 905 N TYR A 118 -8.567 -5.082 3.841 1.00 0.00 N ATOM 906 CA TYR A 118 -7.845 -3.806 3.700 1.00 0.00 C ATOM 907 C TYR A 118 -8.653 -2.808 2.855 1.00 0.00 C ATOM 908 O TYR A 118 -8.093 -1.924 2.214 1.00 0.00 O ATOM 909 CB TYR A 118 -6.466 -4.072 3.085 1.00 0.00 C ATOM 910 CG TYR A 118 -5.553 -4.863 3.998 1.00 0.00 C ATOM 911 CD1 TYR A 118 -4.856 -4.238 5.028 1.00 0.00 C ATOM 912 CD2 TYR A 118 -5.394 -6.228 3.841 1.00 0.00 C ATOM 913 CE1 TYR A 118 -4.029 -4.958 5.871 1.00 0.00 C ATOM 914 CE2 TYR A 118 -4.571 -6.950 4.677 1.00 0.00 C ATOM 915 CZ TYR A 118 -3.893 -6.317 5.686 1.00 0.00 C ATOM 916 OH TYR A 118 -3.073 -7.055 6.514 1.00 0.00 O ATOM 0 HA TYR A 118 -7.711 -3.357 4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.591 -4.614 2.147 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -5.993 -3.120 2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -4.963 -3.173 5.171 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -5.924 -6.736 3.049 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.495 -4.460 6.667 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -4.460 -8.015 4.537 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.096 -7.996 6.242 1.00 0.00 H new ATOM 926 N ASP A 119 -9.972 -2.964 2.881 1.00 0.00 N ATOM 927 CA ASP A 119 -10.914 -2.151 2.114 1.00 0.00 C ATOM 928 C ASP A 119 -10.666 -0.648 2.274 1.00 0.00 C ATOM 929 O ASP A 119 -10.672 0.065 1.292 1.00 0.00 O ATOM 930 CB ASP A 119 -12.390 -2.497 2.457 1.00 0.00 C ATOM 931 CG ASP A 119 -12.791 -2.187 3.897 1.00 0.00 C ATOM 932 OD1 ASP A 119 -13.233 -1.049 4.169 1.00 0.00 O ATOM 933 OD2 ASP A 119 -12.653 -3.083 4.772 1.00 0.00 O ATOM 0 H ASP A 119 -10.429 -3.677 3.450 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.738 -2.400 1.068 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.046 -1.946 1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.556 -3.557 2.267 1.00 0.00 H new ATOM 938 N ARG A 120 -10.387 -0.186 3.495 1.00 0.00 N ATOM 939 CA ARG A 120 -10.169 1.247 3.732 1.00 0.00 C ATOM 940 C ARG A 120 -8.947 1.763 3.046 1.00 0.00 C ATOM 941 O ARG A 120 -8.998 2.775 2.350 1.00 0.00 O ATOM 942 CB ARG A 120 -10.089 1.598 5.219 1.00 0.00 C ATOM 943 CG ARG A 120 -11.382 1.465 6.004 1.00 0.00 C ATOM 944 CD ARG A 120 -12.470 2.289 5.374 1.00 0.00 C ATOM 945 NE ARG A 120 -13.090 1.592 4.224 1.00 0.00 N ATOM 946 CZ ARG A 120 -13.450 2.119 3.046 1.00 0.00 C ATOM 947 NH1 ARG A 120 -13.241 3.413 2.772 1.00 0.00 N ATOM 948 NH2 ARG A 120 -13.991 1.331 2.128 1.00 0.00 N ATOM 0 H ARG A 120 -10.307 -0.772 4.326 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.046 1.734 3.305 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.338 0.959 5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.735 2.625 5.311 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -11.686 0.419 6.041 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.224 1.787 7.033 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -13.234 2.513 6.118 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -12.059 3.242 5.043 1.00 0.00 H new ATOM 0 HE ARG A 120 -13.263 0.594 4.343 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -12.800 4.017 3.466 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -13.522 3.795 1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -14.128 0.339 2.324 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -14.271 1.716 1.226 1.00 0.00 H new ATOM 962 N VAL A 121 -7.865 1.062 3.217 1.00 0.00 N ATOM 963 CA VAL A 121 -6.611 1.494 2.676 1.00 0.00 C ATOM 964 C VAL A 121 -6.585 1.371 1.150 1.00 0.00 C ATOM 965 O VAL A 121 -6.071 2.243 0.461 1.00 0.00 O ATOM 966 CB VAL A 121 -5.400 0.763 3.345 1.00 0.00 C ATOM 967 CG1 VAL A 121 -5.517 -0.729 3.237 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.086 1.238 2.760 1.00 0.00 C ATOM 0 H VAL A 121 -7.827 0.182 3.731 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.506 2.552 2.915 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.419 1.019 4.404 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.656 -1.197 3.714 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.430 -1.059 3.732 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.550 -1.016 2.186 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.262 0.713 3.243 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.069 1.033 1.690 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.980 2.310 2.926 1.00 0.00 H new ATOM 978 N TYR A 122 -7.195 0.326 0.636 1.00 0.00 N ATOM 979 CA TYR A 122 -7.222 0.091 -0.790 1.00 0.00 C ATOM 980 C TYR A 122 -8.130 1.119 -1.480 1.00 0.00 C ATOM 981 O TYR A 122 -7.706 1.822 -2.399 1.00 0.00 O ATOM 982 CB TYR A 122 -7.694 -1.337 -1.069 1.00 0.00 C ATOM 983 CG TYR A 122 -7.619 -1.726 -2.516 1.00 0.00 C ATOM 984 CD1 TYR A 122 -6.438 -2.202 -3.058 1.00 0.00 C ATOM 985 CD2 TYR A 122 -8.722 -1.608 -3.342 1.00 0.00 C ATOM 986 CE1 TYR A 122 -6.358 -2.551 -4.382 1.00 0.00 C ATOM 987 CE2 TYR A 122 -8.656 -1.951 -4.666 1.00 0.00 C ATOM 988 CZ TYR A 122 -7.466 -2.426 -5.189 1.00 0.00 C ATOM 989 OH TYR A 122 -7.381 -2.772 -6.521 1.00 0.00 O ATOM 0 H TYR A 122 -7.682 -0.379 1.189 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.217 0.207 -1.195 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.090 -2.031 -0.484 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.723 -1.443 -0.726 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.566 -2.300 -2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -9.652 -1.239 -2.935 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -5.429 -2.922 -4.790 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -9.526 -1.852 -5.298 1.00 0.00 H new ATOM 0 HH TYR A 122 -6.705 -3.472 -6.635 1.00 0.00 H new ATOM 999 N ASN A 123 -9.371 1.196 -1.012 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.375 2.156 -1.513 1.00 0.00 C ATOM 1001 C ASN A 123 -9.881 3.595 -1.360 1.00 0.00 C ATOM 1002 O ASN A 123 -10.115 4.430 -2.227 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.703 1.966 -0.753 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.829 2.935 -1.120 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -13.647 3.287 -0.252 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -12.924 3.330 -2.373 1.00 0.00 N ATOM 0 H ASN A 123 -9.721 0.593 -0.268 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.536 1.965 -2.574 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -12.055 0.949 -0.925 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.504 2.058 0.315 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -13.687 3.944 -2.658 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -12.235 3.021 -3.059 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.188 3.866 -0.269 1.00 0.00 N ATOM 1014 CA GLY A 124 -8.644 5.182 -0.050 1.00 0.00 C ATOM 1015 C GLY A 124 -7.545 5.503 -1.039 1.00 0.00 C ATOM 1016 O GLY A 124 -7.541 6.576 -1.638 1.00 0.00 O ATOM 0 H GLY A 124 -8.993 3.193 0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.439 5.923 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.252 5.250 0.965 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.645 4.543 -1.250 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.492 4.692 -2.147 1.00 0.00 C ATOM 1022 C TYR A 125 -5.944 5.005 -3.572 1.00 0.00 C ATOM 1023 O TYR A 125 -5.243 5.667 -4.311 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.643 3.407 -2.109 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.296 3.457 -2.822 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.281 4.288 -2.375 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -3.024 2.622 -3.901 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.037 4.287 -2.979 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -1.782 2.626 -4.514 1.00 0.00 C ATOM 1030 CZ TYR A 125 -0.793 3.461 -4.043 1.00 0.00 C ATOM 1031 OH TYR A 125 0.459 3.449 -4.616 1.00 0.00 O ATOM 0 H TYR A 125 -6.694 3.629 -0.800 1.00 0.00 H new ATOM 0 HA TYR A 125 -4.884 5.530 -1.806 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.467 3.146 -1.066 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -5.229 2.598 -2.545 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.465 4.948 -1.540 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -3.794 1.959 -4.267 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.258 4.938 -2.611 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -1.590 1.978 -5.356 1.00 0.00 H new ATOM 0 HH TYR A 125 0.425 2.964 -5.467 1.00 0.00 H new ATOM 1041 N MET A 126 -7.161 4.576 -3.911 1.00 0.00 N ATOM 1042 CA MET A 126 -7.771 4.793 -5.238 1.00 0.00 C ATOM 1043 C MET A 126 -7.829 6.281 -5.619 1.00 0.00 C ATOM 1044 O MET A 126 -7.893 6.617 -6.795 1.00 0.00 O ATOM 1045 CB MET A 126 -9.195 4.222 -5.285 1.00 0.00 C ATOM 1046 CG MET A 126 -9.294 2.726 -5.050 1.00 0.00 C ATOM 1047 SD MET A 126 -11.005 2.129 -5.002 1.00 0.00 S ATOM 1048 CE MET A 126 -11.561 2.516 -6.663 1.00 0.00 C ATOM 0 H MET A 126 -7.764 4.061 -3.269 1.00 0.00 H new ATOM 0 HA MET A 126 -7.133 4.275 -5.954 1.00 0.00 H new ATOM 0 HB2 MET A 126 -9.800 4.733 -4.536 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.630 4.451 -6.258 1.00 0.00 H new ATOM 0 HG2 MET A 126 -8.754 2.203 -5.840 1.00 0.00 H new ATOM 0 HG3 MET A 126 -8.802 2.478 -4.110 1.00 0.00 H new ATOM 0 HE1 MET A 126 -12.477 1.965 -6.878 1.00 0.00 H new ATOM 0 HE2 MET A 126 -11.754 3.586 -6.742 1.00 0.00 H new ATOM 0 HE3 MET A 126 -10.790 2.233 -7.380 1.00 0.00 H new ATOM 1058 N THR A 127 -7.794 7.156 -4.625 1.00 0.00 N ATOM 1059 CA THR A 127 -7.871 8.593 -4.849 1.00 0.00 C ATOM 1060 C THR A 127 -6.668 9.133 -5.632 1.00 0.00 C ATOM 1061 O THR A 127 -6.773 10.133 -6.329 1.00 0.00 O ATOM 1062 CB THR A 127 -7.983 9.354 -3.518 1.00 0.00 C ATOM 1063 OG1 THR A 127 -6.933 8.935 -2.633 1.00 0.00 O ATOM 1064 CG2 THR A 127 -9.342 9.133 -2.866 1.00 0.00 C ATOM 0 H THR A 127 -7.712 6.892 -3.643 1.00 0.00 H new ATOM 0 HA THR A 127 -8.768 8.757 -5.446 1.00 0.00 H new ATOM 0 HB THR A 127 -7.882 10.420 -3.722 1.00 0.00 H new ATOM 0 HG1 THR A 127 -7.238 8.169 -2.103 1.00 0.00 H new ATOM 0 HG21 THR A 127 -9.389 9.684 -1.927 1.00 0.00 H new ATOM 0 HG22 THR A 127 -10.128 9.486 -3.534 1.00 0.00 H new ATOM 0 HG23 THR A 127 -9.483 8.070 -2.670 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.538 8.439 -5.545 1.00 0.00 N ATOM 1073 CA TYR A 128 -4.316 8.893 -6.204 1.00 0.00 C ATOM 1074 C TYR A 128 -4.398 8.671 -7.704 1.00 0.00 C ATOM 1075 O TYR A 128 -3.638 9.260 -8.479 1.00 0.00 O ATOM 1076 CB TYR A 128 -3.068 8.188 -5.619 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.601 6.869 -6.301 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.477 5.817 -6.616 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -1.257 6.689 -6.602 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -3.022 4.656 -7.199 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.799 5.528 -7.193 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.684 4.517 -7.487 1.00 0.00 C ATOM 1083 OH TYR A 128 -1.224 3.353 -8.069 1.00 0.00 O ATOM 0 H TYR A 128 -5.442 7.565 -5.028 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.217 9.962 -6.018 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.238 8.894 -5.649 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.265 7.972 -4.569 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.529 5.921 -6.396 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.554 7.475 -6.368 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.712 3.858 -7.429 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.250 5.414 -7.423 1.00 0.00 H new ATOM 0 HH TYR A 128 -0.389 3.078 -7.635 1.00 0.00 H new ATOM 1093 N ARG A 129 -5.382 7.873 -8.106 1.00 0.00 N ATOM 1094 CA ARG A 129 -5.524 7.443 -9.473 1.00 0.00 C ATOM 1095 C ARG A 129 -6.176 8.524 -10.345 1.00 0.00 C ATOM 1096 O ARG A 129 -6.609 8.292 -11.473 1.00 0.00 O ATOM 1097 CB ARG A 129 -6.217 6.082 -9.521 1.00 0.00 C ATOM 1098 CG ARG A 129 -6.197 5.444 -10.879 1.00 0.00 C ATOM 1099 CD ARG A 129 -6.357 3.956 -10.788 1.00 0.00 C ATOM 1100 NE ARG A 129 -6.534 3.313 -12.114 1.00 0.00 N ATOM 1101 CZ ARG A 129 -5.551 3.065 -13.019 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -4.350 3.630 -12.911 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -5.817 2.301 -14.091 1.00 0.00 N ATOM 0 H ARG A 129 -6.102 7.510 -7.481 1.00 0.00 H new ATOM 0 HA ARG A 129 -4.538 7.301 -9.915 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.735 5.413 -8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -7.252 6.199 -9.199 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -6.998 5.861 -11.490 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.258 5.680 -11.380 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -5.482 3.531 -10.297 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -7.218 3.726 -10.160 1.00 0.00 H new ATOM 0 HE ARG A 129 -7.480 3.031 -12.369 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -4.152 4.264 -12.137 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -3.628 3.429 -13.603 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -6.751 1.912 -14.221 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -5.085 2.110 -14.775 1.00 0.00 H new ATOM 1117 N ASP A 130 -6.225 9.706 -9.788 1.00 0.00 N ATOM 1118 CA ASP A 130 -6.567 10.907 -10.518 1.00 0.00 C ATOM 1119 C ASP A 130 -5.336 11.277 -11.341 1.00 0.00 C ATOM 1120 O ASP A 130 -5.427 11.816 -12.442 1.00 0.00 O ATOM 1121 CB ASP A 130 -6.905 12.034 -9.521 1.00 0.00 C ATOM 1122 CG ASP A 130 -7.191 13.382 -10.174 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -8.321 13.578 -10.666 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -6.291 14.256 -10.158 1.00 0.00 O ATOM 0 H ASP A 130 -6.026 9.868 -8.801 1.00 0.00 H new ATOM 0 HA ASP A 130 -7.434 10.757 -11.162 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -7.774 11.736 -8.934 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.074 12.149 -8.825 1.00 0.00 H new ATOM 1129 N TYR A 131 -4.165 10.895 -10.811 1.00 0.00 N ATOM 1130 CA TYR A 131 -2.913 11.184 -11.468 1.00 0.00 C ATOM 1131 C TYR A 131 -2.274 9.913 -12.025 1.00 0.00 C ATOM 1132 O TYR A 131 -1.649 9.943 -13.085 1.00 0.00 O ATOM 1133 CB TYR A 131 -1.948 11.876 -10.498 1.00 0.00 C ATOM 1134 CG TYR A 131 -2.530 13.118 -9.865 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -2.702 14.279 -10.604 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -2.920 13.122 -8.531 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -3.250 15.408 -10.035 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -3.465 14.249 -7.954 1.00 0.00 C ATOM 1139 CZ TYR A 131 -3.631 15.387 -8.711 1.00 0.00 C ATOM 1140 OH TYR A 131 -4.179 16.510 -8.145 1.00 0.00 O ATOM 0 H TYR A 131 -4.074 10.387 -9.931 1.00 0.00 H new ATOM 0 HA TYR A 131 -3.121 11.854 -12.302 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -1.666 11.174 -9.713 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -1.035 12.141 -11.031 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -2.402 14.298 -11.641 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -2.794 12.229 -7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -3.380 16.304 -10.623 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -3.760 14.239 -6.915 1.00 0.00 H new ATOM 0 HH TYR A 131 -4.395 16.331 -7.206 1.00 0.00 H new ATOM 1150 N VAL A 132 -2.422 8.812 -11.309 1.00 0.00 N ATOM 1151 CA VAL A 132 -1.852 7.543 -11.710 1.00 0.00 C ATOM 1152 C VAL A 132 -2.580 6.409 -10.997 1.00 0.00 C ATOM 1153 O VAL A 132 -3.131 5.516 -11.673 1.00 0.00 O ATOM 1154 CB VAL A 132 -0.294 7.478 -11.475 1.00 0.00 C ATOM 1155 CG1 VAL A 132 0.093 7.771 -10.026 1.00 0.00 C ATOM 1156 CG2 VAL A 132 0.276 6.136 -11.927 1.00 0.00 C ATOM 1157 OXT VAL A 132 -2.698 6.475 -9.780 1.00 0.00 O ATOM 0 H VAL A 132 -2.942 8.775 -10.432 1.00 0.00 H new ATOM 0 HA VAL A 132 -1.992 7.433 -12.785 1.00 0.00 H new ATOM 0 HB VAL A 132 0.146 8.265 -12.088 1.00 0.00 H new ATOM 0 HG11 VAL A 132 1.176 7.713 -9.920 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -0.245 8.771 -9.754 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -0.376 7.038 -9.369 1.00 0.00 H new ATOM 0 HG21 VAL A 132 1.352 6.120 -11.753 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -0.195 5.332 -11.362 1.00 0.00 H new ATOM 0 HG23 VAL A 132 0.079 5.996 -12.990 1.00 0.00 H new