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 125 TYR OH : rot -83:sc= 1.01 USER MOD Set 1.2: A 128 TYR OH : rot -138:sc= 1.78 USER MOD Set 2.1: A 76 LYS NZ :NH3+ 164:sc= 0.861 (180deg=-0.977) USER MOD Set 2.2: A 118 TYR OH : rot -138:sc= 1.5 USER MOD Set 3.1: A 104 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 105 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 170:sc= -0.0233 (180deg=-0.194) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -158:sc= 1.26 (180deg=1.08) USER MOD Single : A 83 MET CE :methyl 160:sc= -0.167 (180deg=-0.718) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 151:sc= 0.738 (180deg=-0.227) USER MOD Single : A 93 TYR OH : rot 180:sc=-0.00854 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.545 F(o=-1.7!,f=-0.55) USER MOD Single : A 95 LYS NZ :NH3+ -179:sc= -0.284 (180deg=-0.368) USER MOD Single : A 99 LYS NZ :NH3+ -154:sc= 0.175 (180deg=-1.34!) USER MOD Single : A 101 TYR OH : rot 17:sc= 1.22 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.0938 USER MOD Single : A 107 SER OG : rot 86:sc= 0.634 USER MOD Single : A 111 LYS NZ :NH3+ -139:sc= 0.0415 (180deg=-0.754) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.105 X(o=-0.11,f=0) USER MOD Single : A 126 MET CE :methyl 162:sc= -0.106 (180deg=-0.512) USER MOD Single : A 127 THR OG1 : rot 72:sc= 0.886 USER MOD Single : A 131 TYR OH : rot -130:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 7.721 -7.198 -1.099 1.00 0.00 N ATOM 152 CA GLU A 71 7.365 -6.217 -0.058 1.00 0.00 C ATOM 153 C GLU A 71 6.031 -6.478 0.653 1.00 0.00 C ATOM 154 O GLU A 71 5.599 -5.644 1.447 1.00 0.00 O ATOM 155 CB GLU A 71 7.337 -4.786 -0.632 1.00 0.00 C ATOM 156 CG GLU A 71 8.350 -4.490 -1.738 1.00 0.00 C ATOM 157 CD GLU A 71 7.853 -4.924 -3.107 1.00 0.00 C ATOM 158 OE1 GLU A 71 8.015 -6.126 -3.491 1.00 0.00 O ATOM 159 OE2 GLU A 71 7.278 -4.095 -3.829 1.00 0.00 O ATOM 0 HA GLU A 71 8.150 -6.329 0.689 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.337 -4.590 -1.020 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.505 -4.084 0.185 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.565 -3.422 -1.754 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.287 -5.001 -1.516 1.00 0.00 H new ATOM 166 N LYS A 72 5.422 -7.632 0.428 1.00 0.00 N ATOM 167 CA LYS A 72 4.102 -7.949 1.012 1.00 0.00 C ATOM 168 C LYS A 72 4.040 -7.747 2.524 1.00 0.00 C ATOM 169 O LYS A 72 3.081 -7.180 3.033 1.00 0.00 O ATOM 170 CB LYS A 72 3.611 -9.366 0.649 1.00 0.00 C ATOM 171 CG LYS A 72 4.589 -10.501 0.939 1.00 0.00 C ATOM 172 CD LYS A 72 5.306 -10.957 -0.318 1.00 0.00 C ATOM 173 CE LYS A 72 6.169 -12.179 -0.049 1.00 0.00 C ATOM 174 NZ LYS A 72 6.752 -12.724 -1.293 1.00 0.00 N ATOM 0 H LYS A 72 5.811 -8.374 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 72 3.426 -7.226 0.556 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.686 -9.560 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.366 -9.385 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.321 -10.172 1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.051 -11.342 1.377 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.575 -11.189 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.928 -10.147 -0.699 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.969 -11.914 0.642 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.569 -12.948 0.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.334 -13.556 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.988 -13.001 -1.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 7.345 -11.999 -1.745 1.00 0.00 H new ATOM 188 N ALA A 73 5.085 -8.150 3.220 1.00 0.00 N ATOM 189 CA ALA A 73 5.111 -8.071 4.670 1.00 0.00 C ATOM 190 C ALA A 73 5.151 -6.626 5.159 1.00 0.00 C ATOM 191 O ALA A 73 4.626 -6.308 6.222 1.00 0.00 O ATOM 192 CB ALA A 73 6.279 -8.863 5.218 1.00 0.00 C ATOM 0 H ALA A 73 5.932 -8.537 2.804 1.00 0.00 H new ATOM 0 HA ALA A 73 4.186 -8.509 5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.286 -8.795 6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.182 -9.907 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.211 -8.458 4.823 1.00 0.00 H new ATOM 198 N ALA A 74 5.735 -5.755 4.365 1.00 0.00 N ATOM 199 CA ALA A 74 5.844 -4.359 4.721 1.00 0.00 C ATOM 200 C ALA A 74 4.574 -3.622 4.328 1.00 0.00 C ATOM 201 O ALA A 74 4.027 -2.834 5.109 1.00 0.00 O ATOM 202 CB ALA A 74 7.059 -3.731 4.053 1.00 0.00 C ATOM 0 H ALA A 74 6.144 -5.993 3.462 1.00 0.00 H new ATOM 0 HA ALA A 74 5.973 -4.280 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.125 -2.680 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.961 -4.250 4.377 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.962 -3.813 2.970 1.00 0.00 H new ATOM 208 N VAL A 75 4.082 -3.920 3.132 1.00 0.00 N ATOM 209 CA VAL A 75 2.887 -3.283 2.592 1.00 0.00 C ATOM 210 C VAL A 75 1.659 -3.552 3.468 1.00 0.00 C ATOM 211 O VAL A 75 0.829 -2.684 3.648 1.00 0.00 O ATOM 212 CB VAL A 75 2.619 -3.705 1.117 1.00 0.00 C ATOM 213 CG1 VAL A 75 1.329 -3.091 0.584 1.00 0.00 C ATOM 214 CG2 VAL A 75 3.782 -3.288 0.234 1.00 0.00 C ATOM 0 H VAL A 75 4.500 -4.610 2.509 1.00 0.00 H new ATOM 0 HA VAL A 75 3.074 -2.209 2.598 1.00 0.00 H new ATOM 0 HB VAL A 75 2.514 -4.790 1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.175 -3.407 -0.448 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.489 -3.422 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.400 -2.004 0.623 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.584 -3.588 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.903 -2.206 0.279 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.695 -3.770 0.583 1.00 0.00 H new ATOM 224 N LYS A 76 1.577 -4.735 4.057 1.00 0.00 N ATOM 225 CA LYS A 76 0.448 -5.060 4.924 1.00 0.00 C ATOM 226 C LYS A 76 0.441 -4.233 6.215 1.00 0.00 C ATOM 227 O LYS A 76 -0.603 -4.031 6.829 1.00 0.00 O ATOM 228 CB LYS A 76 0.396 -6.535 5.217 1.00 0.00 C ATOM 229 CG LYS A 76 0.163 -7.323 3.958 1.00 0.00 C ATOM 230 CD LYS A 76 0.026 -8.792 4.226 1.00 0.00 C ATOM 231 CE LYS A 76 -1.355 -9.156 4.754 1.00 0.00 C ATOM 232 NZ LYS A 76 -2.409 -8.829 3.764 1.00 0.00 N ATOM 0 H LYS A 76 2.267 -5.479 3.955 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.456 -4.791 4.378 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.330 -6.851 5.681 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.401 -6.740 5.932 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.739 -6.960 3.466 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.991 -7.157 3.269 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.219 -9.346 3.308 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.782 -9.099 4.949 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.389 -10.220 4.988 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.545 -8.619 5.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.289 -9.321 4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.575 -7.802 3.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.103 -9.134 2.818 1.00 0.00 H new ATOM 246 N LYS A 77 1.607 -3.749 6.614 1.00 0.00 N ATOM 247 CA LYS A 77 1.705 -2.867 7.777 1.00 0.00 C ATOM 248 C LYS A 77 1.379 -1.456 7.367 1.00 0.00 C ATOM 249 O LYS A 77 0.758 -0.701 8.114 1.00 0.00 O ATOM 250 CB LYS A 77 3.094 -2.917 8.438 1.00 0.00 C ATOM 251 CG LYS A 77 3.317 -4.067 9.421 1.00 0.00 C ATOM 252 CD LYS A 77 3.164 -5.438 8.781 1.00 0.00 C ATOM 253 CE LYS A 77 3.444 -6.556 9.774 1.00 0.00 C ATOM 254 NZ LYS A 77 2.514 -6.519 10.936 1.00 0.00 N ATOM 0 H LYS A 77 2.496 -3.948 6.156 1.00 0.00 H new ATOM 0 HA LYS A 77 0.986 -3.218 8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.848 -2.982 7.653 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.261 -1.976 8.963 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.316 -3.982 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 77 2.608 -3.976 10.244 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.153 -5.545 8.387 1.00 0.00 H new ATOM 0 HD3 LYS A 77 3.846 -5.523 7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.356 -7.518 9.270 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.471 -6.476 10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.625 -7.387 11.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 2.732 -5.693 11.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 1.534 -6.451 10.594 1.00 0.00 H new ATOM 268 N MET A 78 1.772 -1.118 6.165 1.00 0.00 N ATOM 269 CA MET A 78 1.499 0.188 5.608 1.00 0.00 C ATOM 270 C MET A 78 0.013 0.314 5.255 1.00 0.00 C ATOM 271 O MET A 78 -0.546 1.401 5.247 1.00 0.00 O ATOM 272 CB MET A 78 2.386 0.451 4.397 1.00 0.00 C ATOM 273 CG MET A 78 3.864 0.610 4.719 1.00 0.00 C ATOM 274 SD MET A 78 4.213 2.067 5.727 1.00 0.00 S ATOM 275 CE MET A 78 5.983 1.892 5.957 1.00 0.00 C ATOM 0 H MET A 78 2.290 -1.738 5.543 1.00 0.00 H new ATOM 0 HA MET A 78 1.731 0.946 6.356 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.268 -0.371 3.691 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.037 1.354 3.897 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.214 -0.280 5.243 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.428 0.675 3.789 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.355 2.719 6.563 1.00 0.00 H new ATOM 0 HE2 MET A 78 6.193 0.949 6.462 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.479 1.902 4.986 1.00 0.00 H new ATOM 285 N ALA A 79 -0.616 -0.819 4.981 1.00 0.00 N ATOM 286 CA ALA A 79 -2.047 -0.886 4.745 1.00 0.00 C ATOM 287 C ALA A 79 -2.783 -0.481 6.021 1.00 0.00 C ATOM 288 O ALA A 79 -3.764 0.280 5.984 1.00 0.00 O ATOM 289 CB ALA A 79 -2.448 -2.290 4.296 1.00 0.00 C ATOM 0 H ALA A 79 -0.144 -1.721 4.916 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.321 -0.196 3.946 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.524 -2.323 4.123 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.924 -2.540 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.182 -3.009 5.071 1.00 0.00 H new ATOM 295 N LYS A 80 -2.281 -0.975 7.153 1.00 0.00 N ATOM 296 CA LYS A 80 -2.769 -0.578 8.471 1.00 0.00 C ATOM 297 C LYS A 80 -2.542 0.903 8.635 1.00 0.00 C ATOM 298 O LYS A 80 -3.409 1.620 9.092 1.00 0.00 O ATOM 299 CB LYS A 80 -2.038 -1.390 9.610 1.00 0.00 C ATOM 300 CG LYS A 80 -2.325 -0.965 11.098 1.00 0.00 C ATOM 301 CD LYS A 80 -1.621 0.359 11.506 1.00 0.00 C ATOM 302 CE LYS A 80 -1.979 0.817 12.918 1.00 0.00 C ATOM 303 NZ LYS A 80 -1.435 2.177 13.221 1.00 0.00 N ATOM 0 H LYS A 80 -1.526 -1.660 7.181 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.833 -0.798 8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.308 -2.441 9.501 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.964 -1.317 9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.401 -0.854 11.236 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.999 -1.762 11.766 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -0.541 0.226 11.436 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -1.892 1.141 10.797 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.063 0.827 13.032 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -1.589 0.101 13.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -1.363 2.301 14.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.492 2.277 12.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.071 2.901 12.829 1.00 0.00 H new ATOM 317 N ALA A 81 -1.369 1.341 8.245 1.00 0.00 N ATOM 318 CA ALA A 81 -0.964 2.727 8.370 1.00 0.00 C ATOM 319 C ALA A 81 -1.877 3.674 7.590 1.00 0.00 C ATOM 320 O ALA A 81 -1.922 4.850 7.860 1.00 0.00 O ATOM 321 CB ALA A 81 0.489 2.899 7.988 1.00 0.00 C ATOM 0 H ALA A 81 -0.658 0.741 7.827 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.068 3.003 9.419 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.770 3.947 8.090 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.112 2.291 8.644 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.633 2.583 6.955 1.00 0.00 H new ATOM 327 N ILE A 82 -2.536 3.166 6.589 1.00 0.00 N ATOM 328 CA ILE A 82 -3.533 3.942 5.899 1.00 0.00 C ATOM 329 C ILE A 82 -4.859 3.822 6.623 1.00 0.00 C ATOM 330 O ILE A 82 -5.438 4.820 7.057 1.00 0.00 O ATOM 331 CB ILE A 82 -3.765 3.447 4.464 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.501 3.577 3.632 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.920 4.231 3.837 1.00 0.00 C ATOM 334 CD1 ILE A 82 -2.590 2.916 2.276 1.00 0.00 C ATOM 0 H ILE A 82 -2.404 2.220 6.231 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.169 4.969 5.874 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.028 2.389 4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.275 4.634 3.496 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.668 3.141 4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -5.086 3.881 2.818 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.825 4.079 4.425 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.673 5.292 3.820 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.649 3.052 1.742 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.785 1.851 2.402 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.400 3.367 1.704 1.00 0.00 H new ATOM 346 N MET A 83 -5.330 2.583 6.731 1.00 0.00 N ATOM 347 CA MET A 83 -6.644 2.266 7.262 1.00 0.00 C ATOM 348 C MET A 83 -6.853 2.765 8.685 1.00 0.00 C ATOM 349 O MET A 83 -7.885 3.374 8.981 1.00 0.00 O ATOM 350 CB MET A 83 -6.914 0.757 7.169 1.00 0.00 C ATOM 351 CG MET A 83 -8.166 0.284 7.897 1.00 0.00 C ATOM 352 SD MET A 83 -8.420 -1.499 7.771 1.00 0.00 S ATOM 353 CE MET A 83 -6.921 -2.135 8.538 1.00 0.00 C ATOM 0 H MET A 83 -4.798 1.761 6.446 1.00 0.00 H new ATOM 0 HA MET A 83 -7.365 2.798 6.642 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.997 0.481 6.118 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.053 0.223 7.572 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.096 0.563 8.948 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.035 0.800 7.488 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.082 -3.166 8.852 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.101 -2.098 7.820 1.00 0.00 H new ATOM 0 HE3 MET A 83 -6.670 -1.526 9.407 1.00 0.00 H new ATOM 363 N ALA A 84 -5.870 2.547 9.520 1.00 0.00 N ATOM 364 CA ALA A 84 -5.948 2.873 10.931 1.00 0.00 C ATOM 365 C ALA A 84 -5.438 4.254 11.218 1.00 0.00 C ATOM 366 O ALA A 84 -5.837 4.865 12.205 1.00 0.00 O ATOM 367 CB ALA A 84 -5.186 1.854 11.745 1.00 0.00 C ATOM 0 H ALA A 84 -4.980 2.134 9.242 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.000 2.848 11.215 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.252 2.110 12.802 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.615 0.865 11.583 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.140 1.851 11.437 1.00 0.00 H new ATOM 373 N ASP A 85 -4.570 4.749 10.376 1.00 0.00 N ATOM 374 CA ASP A 85 -4.039 6.077 10.566 1.00 0.00 C ATOM 375 C ASP A 85 -4.578 6.939 9.404 1.00 0.00 C ATOM 376 O ASP A 85 -3.881 7.181 8.423 1.00 0.00 O ATOM 377 CB ASP A 85 -2.487 6.107 10.531 1.00 0.00 C ATOM 378 CG ASP A 85 -1.717 5.032 11.327 1.00 0.00 C ATOM 379 OD1 ASP A 85 -2.257 4.422 12.269 1.00 0.00 O ATOM 380 OD2 ASP A 85 -0.513 4.764 10.975 1.00 0.00 O ATOM 0 H ASP A 85 -4.216 4.258 9.555 1.00 0.00 H new ATOM 0 HA ASP A 85 -4.344 6.447 11.545 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -2.176 6.035 9.489 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -2.165 7.083 10.893 1.00 0.00 H new ATOM 385 N PRO A 86 -5.835 7.417 9.484 1.00 0.00 N ATOM 386 CA PRO A 86 -6.512 8.032 8.338 1.00 0.00 C ATOM 387 C PRO A 86 -5.915 9.363 7.873 1.00 0.00 C ATOM 388 O PRO A 86 -5.905 9.645 6.685 1.00 0.00 O ATOM 389 CB PRO A 86 -7.953 8.223 8.822 1.00 0.00 C ATOM 390 CG PRO A 86 -7.860 8.273 10.310 1.00 0.00 C ATOM 391 CD PRO A 86 -6.689 7.413 10.694 1.00 0.00 C ATOM 0 HA PRO A 86 -6.413 7.396 7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.384 9.141 8.423 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.591 7.402 8.494 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -7.719 9.297 10.656 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -8.778 7.905 10.769 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -6.161 7.818 11.557 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -7.004 6.403 10.958 1.00 0.00 H new ATOM 399 N SER A 87 -5.410 10.156 8.792 1.00 0.00 N ATOM 400 CA SER A 87 -4.854 11.458 8.441 1.00 0.00 C ATOM 401 C SER A 87 -3.415 11.289 7.947 1.00 0.00 C ATOM 402 O SER A 87 -2.859 12.152 7.288 1.00 0.00 O ATOM 403 CB SER A 87 -4.914 12.395 9.662 1.00 0.00 C ATOM 404 OG SER A 87 -4.476 13.703 9.353 1.00 0.00 O ATOM 0 H SER A 87 -5.370 9.930 9.786 1.00 0.00 H new ATOM 0 HA SER A 87 -5.441 11.904 7.638 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.937 12.435 10.037 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.297 11.986 10.462 1.00 0.00 H new ATOM 0 HG SER A 87 -4.532 14.264 10.154 1.00 0.00 H new ATOM 410 N LYS A 88 -2.847 10.159 8.276 1.00 0.00 N ATOM 411 CA LYS A 88 -1.489 9.808 7.933 1.00 0.00 C ATOM 412 C LYS A 88 -1.461 9.134 6.550 1.00 0.00 C ATOM 413 O LYS A 88 -0.429 9.050 5.910 1.00 0.00 O ATOM 414 CB LYS A 88 -0.979 8.903 9.085 1.00 0.00 C ATOM 415 CG LYS A 88 0.419 8.286 9.004 1.00 0.00 C ATOM 416 CD LYS A 88 0.477 7.095 8.059 1.00 0.00 C ATOM 417 CE LYS A 88 1.698 6.260 8.317 1.00 0.00 C ATOM 418 NZ LYS A 88 1.648 5.662 9.682 1.00 0.00 N ATOM 0 H LYS A 88 -3.329 9.433 8.806 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.830 10.672 7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -1.023 9.489 10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.690 8.084 9.195 1.00 0.00 H new ATOM 0 HG2 LYS A 88 1.128 9.044 8.672 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.732 7.971 10.000 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.418 6.485 8.183 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.484 7.446 7.027 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.768 5.469 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 88 2.593 6.874 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.169 4.762 9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.082 6.316 10.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 0.658 5.490 9.950 1.00 0.00 H new ATOM 432 N ALA A 89 -2.636 8.727 6.100 1.00 0.00 N ATOM 433 CA ALA A 89 -2.840 7.966 4.864 1.00 0.00 C ATOM 434 C ALA A 89 -2.130 8.544 3.631 1.00 0.00 C ATOM 435 O ALA A 89 -1.607 7.776 2.813 1.00 0.00 O ATOM 436 CB ALA A 89 -4.321 7.833 4.592 1.00 0.00 C ATOM 0 H ALA A 89 -3.506 8.920 6.596 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.383 6.991 5.033 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.473 7.267 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.798 7.312 5.422 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.762 8.824 4.485 1.00 0.00 H new ATOM 442 N ASP A 90 -2.092 9.874 3.506 1.00 0.00 N ATOM 443 CA ASP A 90 -1.474 10.520 2.324 1.00 0.00 C ATOM 444 C ASP A 90 0.006 10.181 2.224 1.00 0.00 C ATOM 445 O ASP A 90 0.508 9.871 1.141 1.00 0.00 O ATOM 446 CB ASP A 90 -1.685 12.034 2.313 1.00 0.00 C ATOM 447 CG ASP A 90 -1.115 12.681 1.053 1.00 0.00 C ATOM 448 OD1 ASP A 90 -1.821 12.692 0.011 1.00 0.00 O ATOM 449 OD2 ASP A 90 0.030 13.159 1.101 1.00 0.00 O ATOM 0 H ASP A 90 -2.474 10.524 4.193 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.980 10.118 1.446 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.751 12.252 2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.212 12.473 3.192 1.00 0.00 H new ATOM 454 N ASP A 91 0.671 10.134 3.387 1.00 0.00 N ATOM 455 CA ASP A 91 2.094 9.745 3.495 1.00 0.00 C ATOM 456 C ASP A 91 2.344 8.406 2.822 1.00 0.00 C ATOM 457 O ASP A 91 3.379 8.189 2.157 1.00 0.00 O ATOM 458 CB ASP A 91 2.535 9.666 4.983 1.00 0.00 C ATOM 459 CG ASP A 91 3.744 8.752 5.200 1.00 0.00 C ATOM 460 OD1 ASP A 91 4.876 9.119 4.833 1.00 0.00 O ATOM 461 OD2 ASP A 91 3.562 7.593 5.670 1.00 0.00 O ATOM 0 H ASP A 91 0.242 10.364 4.283 1.00 0.00 H new ATOM 0 HA ASP A 91 2.682 10.511 2.990 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.775 10.668 5.339 1.00 0.00 H new ATOM 0 HB3 ASP A 91 1.701 9.305 5.585 1.00 0.00 H new ATOM 466 N VAL A 92 1.396 7.523 2.959 1.00 0.00 N ATOM 467 CA VAL A 92 1.526 6.212 2.413 1.00 0.00 C ATOM 468 C VAL A 92 1.168 6.218 0.921 1.00 0.00 C ATOM 469 O VAL A 92 1.864 5.604 0.127 1.00 0.00 O ATOM 470 CB VAL A 92 0.668 5.179 3.178 1.00 0.00 C ATOM 471 CG1 VAL A 92 0.997 3.772 2.722 1.00 0.00 C ATOM 472 CG2 VAL A 92 0.864 5.306 4.680 1.00 0.00 C ATOM 0 H VAL A 92 0.519 7.695 3.450 1.00 0.00 H new ATOM 0 HA VAL A 92 2.567 5.910 2.525 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.379 5.384 2.955 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.383 3.058 3.272 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.794 3.679 1.655 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.050 3.565 2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.248 4.566 5.191 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.912 5.137 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.573 6.306 5.002 1.00 0.00 H new ATOM 482 N TYR A 93 0.126 6.963 0.543 1.00 0.00 N ATOM 483 CA TYR A 93 -0.297 7.025 -0.870 1.00 0.00 C ATOM 484 C TYR A 93 0.816 7.619 -1.718 1.00 0.00 C ATOM 485 O TYR A 93 1.204 7.061 -2.743 1.00 0.00 O ATOM 486 CB TYR A 93 -1.553 7.892 -1.078 1.00 0.00 C ATOM 487 CG TYR A 93 -2.776 7.525 -0.271 1.00 0.00 C ATOM 488 CD1 TYR A 93 -3.117 6.207 -0.027 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.606 8.521 0.231 1.00 0.00 C ATOM 490 CE1 TYR A 93 -4.244 5.893 0.699 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.734 8.213 0.958 1.00 0.00 C ATOM 492 CZ TYR A 93 -5.048 6.897 1.190 1.00 0.00 C ATOM 493 OH TYR A 93 -6.172 6.576 1.931 1.00 0.00 O ATOM 0 H TYR A 93 -0.437 7.526 1.180 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.525 6.001 -1.167 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.294 8.926 -0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.820 7.856 -2.134 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.492 5.414 -0.411 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.361 9.557 0.047 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.497 4.859 0.883 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.366 9.000 1.342 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.630 7.398 2.204 1.00 0.00 H new ATOM 503 N GLN A 94 1.336 8.740 -1.248 1.00 0.00 N ATOM 504 CA GLN A 94 2.381 9.478 -1.924 1.00 0.00 C ATOM 505 C GLN A 94 3.647 8.633 -2.072 1.00 0.00 C ATOM 506 O GLN A 94 4.244 8.594 -3.141 1.00 0.00 O ATOM 507 CB GLN A 94 2.626 10.824 -1.181 1.00 0.00 C ATOM 508 CG GLN A 94 3.698 11.761 -1.771 1.00 0.00 C ATOM 509 CD GLN A 94 5.138 11.368 -1.444 1.00 0.00 C ATOM 510 OE1 GLN A 94 5.356 10.784 -0.282 1.00 0.00 O flip ATOM 511 NE2 GLN A 94 6.045 11.614 -2.219 1.00 0.00 N flip ATOM 0 H GLN A 94 1.037 9.167 -0.371 1.00 0.00 H new ATOM 0 HA GLN A 94 2.066 9.715 -2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.682 11.368 -1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.903 10.598 -0.151 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.580 11.789 -2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.519 12.772 -1.405 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.845 12.067 -3.111 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.004 11.367 -1.976 1.00 0.00 H new ATOM 520 N LYS A 95 4.029 7.912 -1.025 1.00 0.00 N ATOM 521 CA LYS A 95 5.253 7.128 -1.111 1.00 0.00 C ATOM 522 C LYS A 95 5.042 5.887 -1.955 1.00 0.00 C ATOM 523 O LYS A 95 5.953 5.392 -2.562 1.00 0.00 O ATOM 524 CB LYS A 95 5.789 6.708 0.240 1.00 0.00 C ATOM 525 CG LYS A 95 4.922 5.701 0.944 1.00 0.00 C ATOM 526 CD LYS A 95 5.690 4.959 1.989 1.00 0.00 C ATOM 527 CE LYS A 95 6.272 5.900 3.058 1.00 0.00 C ATOM 528 NZ LYS A 95 5.229 6.727 3.703 1.00 0.00 N ATOM 0 H LYS A 95 3.530 7.854 -0.137 1.00 0.00 H new ATOM 0 HA LYS A 95 5.989 7.784 -1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.787 6.289 0.112 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.892 7.591 0.871 1.00 0.00 H new ATOM 0 HG2 LYS A 95 4.073 6.207 1.404 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.517 4.996 0.218 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.038 4.228 2.467 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.500 4.403 1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 95 6.787 5.311 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.017 6.550 2.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.669 7.357 4.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 4.743 7.297 2.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.540 6.109 4.178 1.00 0.00 H new ATOM 542 N TRP A 96 3.834 5.374 -1.983 1.00 0.00 N ATOM 543 CA TRP A 96 3.557 4.211 -2.795 1.00 0.00 C ATOM 544 C TRP A 96 3.695 4.536 -4.255 1.00 0.00 C ATOM 545 O TRP A 96 4.014 3.678 -5.069 1.00 0.00 O ATOM 546 CB TRP A 96 2.229 3.542 -2.440 1.00 0.00 C ATOM 547 CG TRP A 96 2.325 2.646 -1.222 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.450 2.354 -0.494 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.265 1.899 -0.619 1.00 0.00 C ATOM 550 NE1 TRP A 96 3.145 1.477 0.511 1.00 0.00 N ATOM 551 CE2 TRP A 96 1.811 1.185 0.456 1.00 0.00 C ATOM 552 CE3 TRP A 96 -0.087 1.767 -0.881 1.00 0.00 C ATOM 553 CZ2 TRP A 96 1.040 0.353 1.257 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -0.847 0.946 -0.086 1.00 0.00 C ATOM 555 CH2 TRP A 96 -0.282 0.247 0.973 1.00 0.00 C ATOM 0 H TRP A 96 3.037 5.737 -1.461 1.00 0.00 H new ATOM 0 HA TRP A 96 4.312 3.459 -2.566 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.478 4.311 -2.260 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.886 2.954 -3.291 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.433 2.757 -0.686 1.00 0.00 H new ATOM 0 HE1 TRP A 96 3.806 1.102 1.191 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.539 2.304 -1.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.479 -0.192 2.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -1.903 0.842 -0.287 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.906 -0.392 1.581 1.00 0.00 H new ATOM 566 N ALA A 97 3.550 5.797 -4.552 1.00 0.00 N ATOM 567 CA ALA A 97 3.731 6.288 -5.894 1.00 0.00 C ATOM 568 C ALA A 97 5.221 6.273 -6.245 1.00 0.00 C ATOM 569 O ALA A 97 5.602 5.859 -7.337 1.00 0.00 O ATOM 570 CB ALA A 97 3.145 7.685 -6.048 1.00 0.00 C ATOM 0 H ALA A 97 3.303 6.516 -3.872 1.00 0.00 H new ATOM 0 HA ALA A 97 3.198 5.636 -6.586 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.295 8.032 -7.070 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.078 7.658 -5.827 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.642 8.366 -5.357 1.00 0.00 H new ATOM 576 N ASP A 98 6.069 6.668 -5.281 1.00 0.00 N ATOM 577 CA ASP A 98 7.531 6.679 -5.500 1.00 0.00 C ATOM 578 C ASP A 98 8.075 5.243 -5.438 1.00 0.00 C ATOM 579 O ASP A 98 9.097 4.921 -6.028 1.00 0.00 O ATOM 580 CB ASP A 98 8.281 7.617 -4.493 1.00 0.00 C ATOM 581 CG ASP A 98 8.991 6.896 -3.343 1.00 0.00 C ATOM 582 OD1 ASP A 98 8.363 6.606 -2.291 1.00 0.00 O ATOM 583 OD2 ASP A 98 10.196 6.567 -3.466 1.00 0.00 O ATOM 0 H ASP A 98 5.777 6.980 -4.355 1.00 0.00 H new ATOM 0 HA ASP A 98 7.718 7.089 -6.492 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.017 8.203 -5.044 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.563 8.321 -4.072 1.00 0.00 H new ATOM 588 N LYS A 99 7.351 4.372 -4.729 1.00 0.00 N ATOM 589 CA LYS A 99 7.695 2.950 -4.651 1.00 0.00 C ATOM 590 C LYS A 99 7.325 2.213 -5.945 1.00 0.00 C ATOM 591 O LYS A 99 7.631 1.031 -6.100 1.00 0.00 O ATOM 592 CB LYS A 99 7.027 2.264 -3.442 1.00 0.00 C ATOM 593 CG LYS A 99 7.420 2.767 -2.028 1.00 0.00 C ATOM 594 CD LYS A 99 8.833 2.334 -1.557 1.00 0.00 C ATOM 595 CE LYS A 99 9.988 3.112 -2.204 1.00 0.00 C ATOM 596 NZ LYS A 99 9.952 4.551 -1.875 1.00 0.00 N ATOM 0 H LYS A 99 6.519 4.629 -4.198 1.00 0.00 H new ATOM 0 HA LYS A 99 8.775 2.896 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.947 2.370 -3.549 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.250 1.198 -3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.365 3.856 -2.016 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.685 2.403 -1.310 1.00 0.00 H new ATOM 0 HD2 LYS A 99 8.893 2.453 -0.475 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.963 1.273 -1.769 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.937 2.690 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 99 9.944 2.988 -3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.426 5.091 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.964 4.864 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.441 4.713 -0.972 1.00 0.00 H new ATOM 610 N GLY A 100 6.652 2.902 -6.847 1.00 0.00 N ATOM 611 CA GLY A 100 6.330 2.321 -8.126 1.00 0.00 C ATOM 612 C GLY A 100 4.986 1.635 -8.153 1.00 0.00 C ATOM 613 O GLY A 100 4.636 0.973 -9.146 1.00 0.00 O ATOM 0 H GLY A 100 6.322 3.858 -6.715 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.346 3.102 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.103 1.600 -8.394 1.00 0.00 H new ATOM 617 N TYR A 101 4.216 1.774 -7.091 1.00 0.00 N ATOM 618 CA TYR A 101 2.913 1.167 -7.072 1.00 0.00 C ATOM 619 C TYR A 101 1.963 2.000 -7.904 1.00 0.00 C ATOM 620 O TYR A 101 1.671 3.146 -7.593 1.00 0.00 O ATOM 621 CB TYR A 101 2.396 0.943 -5.652 1.00 0.00 C ATOM 622 CG TYR A 101 3.302 0.066 -4.816 1.00 0.00 C ATOM 623 CD1 TYR A 101 3.746 -1.160 -5.289 1.00 0.00 C ATOM 624 CD2 TYR A 101 3.709 0.459 -3.558 1.00 0.00 C ATOM 625 CE1 TYR A 101 4.566 -1.959 -4.528 1.00 0.00 C ATOM 626 CE2 TYR A 101 4.529 -0.333 -2.789 1.00 0.00 C ATOM 627 CZ TYR A 101 4.954 -1.541 -3.276 1.00 0.00 C ATOM 628 OH TYR A 101 5.762 -2.335 -2.509 1.00 0.00 O ATOM 0 H TYR A 101 4.469 2.292 -6.249 1.00 0.00 H new ATOM 0 HA TYR A 101 2.985 0.173 -7.513 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.280 1.908 -5.159 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.406 0.489 -5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.443 -1.492 -6.271 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.376 1.410 -3.168 1.00 0.00 H new ATOM 0 HE1 TYR A 101 4.904 -2.910 -4.911 1.00 0.00 H new ATOM 0 HE2 TYR A 101 4.836 -0.005 -1.807 1.00 0.00 H new ATOM 0 HH TYR A 101 6.186 -3.013 -3.075 1.00 0.00 H new ATOM 638 N THR A 102 1.526 1.405 -8.974 1.00 0.00 N ATOM 639 CA THR A 102 0.726 2.024 -10.001 1.00 0.00 C ATOM 640 C THR A 102 -0.766 1.629 -9.933 1.00 0.00 C ATOM 641 O THR A 102 -1.484 1.739 -10.930 1.00 0.00 O ATOM 642 CB THR A 102 1.316 1.524 -11.319 1.00 0.00 C ATOM 643 OG1 THR A 102 2.232 0.428 -11.014 1.00 0.00 O ATOM 644 CG2 THR A 102 2.048 2.632 -12.058 1.00 0.00 C ATOM 0 H THR A 102 1.726 0.424 -9.168 1.00 0.00 H new ATOM 0 HA THR A 102 0.752 3.108 -9.888 1.00 0.00 H new ATOM 0 HB THR A 102 0.511 1.183 -11.970 1.00 0.00 H new ATOM 0 HG1 THR A 102 2.624 0.088 -11.846 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.455 2.241 -12.990 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.354 3.443 -12.277 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.861 3.008 -11.437 1.00 0.00 H new ATOM 652 N LEU A 103 -1.226 1.235 -8.743 1.00 0.00 N ATOM 653 CA LEU A 103 -2.593 0.715 -8.540 1.00 0.00 C ATOM 654 C LEU A 103 -2.807 -0.564 -9.324 1.00 0.00 C ATOM 655 O LEU A 103 -3.435 -0.591 -10.370 1.00 0.00 O ATOM 656 CB LEU A 103 -3.717 1.755 -8.807 1.00 0.00 C ATOM 657 CG LEU A 103 -5.170 1.245 -8.662 1.00 0.00 C ATOM 658 CD1 LEU A 103 -5.463 0.779 -7.245 1.00 0.00 C ATOM 659 CD2 LEU A 103 -6.165 2.307 -9.095 1.00 0.00 C ATOM 0 H LEU A 103 -0.667 1.265 -7.890 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.672 0.487 -7.477 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.578 2.592 -8.123 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.590 2.144 -9.817 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.279 0.384 -9.321 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.493 0.428 -7.183 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.786 -0.034 -6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.320 1.608 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.179 1.923 -8.983 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.043 3.195 -8.474 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -5.989 2.567 -10.139 1.00 0.00 H new ATOM 671 N THR A 104 -2.204 -1.606 -8.822 1.00 0.00 N ATOM 672 CA THR A 104 -2.254 -2.909 -9.429 1.00 0.00 C ATOM 673 C THR A 104 -1.646 -3.949 -8.477 1.00 0.00 C ATOM 674 O THR A 104 -2.359 -4.827 -7.958 1.00 0.00 O ATOM 675 CB THR A 104 -1.568 -2.923 -10.863 1.00 0.00 C ATOM 676 OG1 THR A 104 -1.300 -4.255 -11.297 1.00 0.00 O ATOM 677 CG2 THR A 104 -0.286 -2.074 -10.925 1.00 0.00 C ATOM 0 H THR A 104 -1.654 -1.574 -7.964 1.00 0.00 H new ATOM 0 HA THR A 104 -3.297 -3.175 -9.598 1.00 0.00 H new ATOM 0 HB THR A 104 -2.287 -2.467 -11.543 1.00 0.00 H new ATOM 0 HG1 THR A 104 -0.880 -4.232 -12.182 1.00 0.00 H new ATOM 0 HG21 THR A 104 0.135 -2.124 -11.929 1.00 0.00 H new ATOM 0 HG22 THR A 104 -0.523 -1.038 -10.682 1.00 0.00 H new ATOM 0 HG23 THR A 104 0.440 -2.458 -10.208 1.00 0.00 H new ATOM 685 N GLN A 105 -0.364 -3.751 -8.154 1.00 0.00 N ATOM 686 CA GLN A 105 0.438 -4.647 -7.297 1.00 0.00 C ATOM 687 C GLN A 105 -0.174 -4.810 -5.902 1.00 0.00 C ATOM 688 O GLN A 105 -0.002 -5.837 -5.258 1.00 0.00 O ATOM 689 CB GLN A 105 1.855 -4.080 -7.181 1.00 0.00 C ATOM 690 CG GLN A 105 2.578 -3.904 -8.521 1.00 0.00 C ATOM 691 CD GLN A 105 2.809 -5.225 -9.241 1.00 0.00 C ATOM 692 OE1 GLN A 105 3.824 -5.876 -9.036 1.00 0.00 O ATOM 693 NE2 GLN A 105 1.889 -5.621 -10.090 1.00 0.00 N ATOM 0 H GLN A 105 0.163 -2.944 -8.487 1.00 0.00 H new ATOM 0 HA GLN A 105 0.457 -5.635 -7.757 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.807 -3.114 -6.678 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.447 -4.740 -6.547 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.993 -3.243 -9.161 1.00 0.00 H new ATOM 0 HG3 GLN A 105 3.537 -3.415 -8.350 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.054 -5.054 -10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 105 2.010 -6.495 -10.602 1.00 0.00 H new ATOM 702 N LEU A 106 -0.931 -3.794 -5.484 1.00 0.00 N ATOM 703 CA LEU A 106 -1.602 -3.749 -4.176 1.00 0.00 C ATOM 704 C LEU A 106 -2.461 -4.995 -3.951 1.00 0.00 C ATOM 705 O LEU A 106 -2.581 -5.498 -2.827 1.00 0.00 O ATOM 706 CB LEU A 106 -2.519 -2.527 -4.120 1.00 0.00 C ATOM 707 CG LEU A 106 -3.173 -2.264 -2.769 1.00 0.00 C ATOM 708 CD1 LEU A 106 -2.157 -1.725 -1.788 1.00 0.00 C ATOM 709 CD2 LEU A 106 -4.359 -1.336 -2.897 1.00 0.00 C ATOM 0 H LEU A 106 -1.100 -2.964 -6.052 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.832 -3.699 -3.406 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.942 -1.647 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.303 -2.647 -4.867 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.549 -3.213 -2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.640 -1.542 -0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.355 -2.452 -1.659 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.743 -0.792 -2.169 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.800 -1.171 -1.914 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.032 -0.383 -3.312 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.102 -1.784 -3.557 1.00 0.00 H new ATOM 721 N SER A 107 -3.013 -5.495 -5.043 1.00 0.00 N ATOM 722 CA SER A 107 -3.930 -6.599 -5.025 1.00 0.00 C ATOM 723 C SER A 107 -3.300 -7.877 -4.440 1.00 0.00 C ATOM 724 O SER A 107 -4.002 -8.665 -3.792 1.00 0.00 O ATOM 725 CB SER A 107 -4.443 -6.850 -6.443 1.00 0.00 C ATOM 726 OG SER A 107 -4.961 -5.642 -7.029 1.00 0.00 O ATOM 0 H SER A 107 -2.827 -5.132 -5.978 1.00 0.00 H new ATOM 0 HA SER A 107 -4.762 -6.337 -4.371 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.635 -7.240 -7.062 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.223 -7.611 -6.421 1.00 0.00 H new ATOM 0 HG SER A 107 -4.229 -5.139 -7.442 1.00 0.00 H new ATOM 732 N ASP A 108 -1.993 -8.075 -4.655 1.00 0.00 N ATOM 733 CA ASP A 108 -1.334 -9.283 -4.152 1.00 0.00 C ATOM 734 C ASP A 108 -0.897 -9.140 -2.707 1.00 0.00 C ATOM 735 O ASP A 108 -1.081 -10.061 -1.913 1.00 0.00 O ATOM 736 CB ASP A 108 -0.145 -9.744 -5.004 1.00 0.00 C ATOM 737 CG ASP A 108 0.410 -11.063 -4.459 1.00 0.00 C ATOM 738 OD1 ASP A 108 -0.204 -12.125 -4.712 1.00 0.00 O ATOM 739 OD2 ASP A 108 1.383 -11.049 -3.665 1.00 0.00 O ATOM 0 H ASP A 108 -1.385 -7.431 -5.161 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.100 -10.055 -4.220 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.458 -9.872 -6.040 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.634 -8.982 -4.998 1.00 0.00 H new ATOM 744 N PHE A 109 -0.335 -7.983 -2.362 1.00 0.00 N ATOM 745 CA PHE A 109 0.188 -7.744 -1.002 1.00 0.00 C ATOM 746 C PHE A 109 -0.906 -7.917 0.042 1.00 0.00 C ATOM 747 O PHE A 109 -0.734 -8.599 1.067 1.00 0.00 O ATOM 748 CB PHE A 109 0.761 -6.343 -0.863 1.00 0.00 C ATOM 749 CG PHE A 109 1.828 -5.980 -1.849 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.986 -6.723 -1.959 1.00 0.00 C ATOM 751 CD2 PHE A 109 1.682 -4.863 -2.636 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.975 -6.356 -2.840 1.00 0.00 C ATOM 753 CE2 PHE A 109 2.657 -4.495 -3.519 1.00 0.00 C ATOM 754 CZ PHE A 109 3.806 -5.238 -3.622 1.00 0.00 C ATOM 0 H PHE A 109 -0.226 -7.193 -2.998 1.00 0.00 H new ATOM 0 HA PHE A 109 0.978 -8.477 -0.839 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.054 -5.625 -0.956 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.168 -6.234 0.142 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.116 -7.603 -1.346 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.784 -4.268 -2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.879 -6.942 -2.917 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.524 -3.619 -4.136 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.578 -4.944 -4.318 1.00 0.00 H new ATOM 764 N LEU A 110 -2.025 -7.286 -0.206 1.00 0.00 N ATOM 765 CA LEU A 110 -3.169 -7.413 0.657 1.00 0.00 C ATOM 766 C LEU A 110 -3.737 -8.801 0.459 1.00 0.00 C ATOM 767 O LEU A 110 -3.958 -9.542 1.425 1.00 0.00 O ATOM 768 CB LEU A 110 -4.195 -6.302 0.367 1.00 0.00 C ATOM 769 CG LEU A 110 -3.870 -4.880 0.927 1.00 0.00 C ATOM 770 CD1 LEU A 110 -2.505 -4.371 0.488 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.937 -3.899 0.495 1.00 0.00 C ATOM 0 H LEU A 110 -2.168 -6.673 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.888 -7.290 1.703 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.314 -6.223 -0.714 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.158 -6.615 0.771 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.851 -4.965 2.014 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.334 -3.379 0.907 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.731 -5.053 0.842 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.470 -4.316 -0.600 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.703 -2.910 0.889 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.973 -3.856 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.905 -4.223 0.877 1.00 0.00 H new ATOM 783 N LYS A 111 -3.875 -9.133 -0.799 1.00 0.00 N ATOM 784 CA LYS A 111 -4.235 -10.439 -1.321 1.00 0.00 C ATOM 785 C LYS A 111 -5.724 -10.642 -1.345 1.00 0.00 C ATOM 786 O LYS A 111 -6.418 -10.413 -0.365 1.00 0.00 O ATOM 787 CB LYS A 111 -3.443 -11.609 -0.680 1.00 0.00 C ATOM 788 CG LYS A 111 -3.336 -12.832 -1.591 1.00 0.00 C ATOM 789 CD LYS A 111 -2.349 -13.890 -1.070 1.00 0.00 C ATOM 790 CE LYS A 111 -0.905 -13.353 -0.902 1.00 0.00 C ATOM 791 NZ LYS A 111 -0.375 -12.682 -2.119 1.00 0.00 N ATOM 0 H LYS A 111 -3.729 -8.452 -1.545 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.915 -10.453 -2.363 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.441 -11.265 -0.425 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -3.927 -11.899 0.253 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.322 -13.285 -1.698 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.024 -12.511 -2.585 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.703 -14.265 -0.110 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -2.337 -14.735 -1.758 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -0.882 -12.649 -0.070 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -0.247 -14.181 -0.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 0.619 -12.953 -2.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.934 -12.972 -2.947 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -0.439 -11.651 -2.002 1.00 0.00 H new ATOM 905 N TYR A 118 -9.701 -5.107 4.248 1.00 0.00 N ATOM 906 CA TYR A 118 -9.004 -4.146 3.372 1.00 0.00 C ATOM 907 C TYR A 118 -9.969 -3.119 2.706 1.00 0.00 C ATOM 908 O TYR A 118 -9.572 -2.409 1.769 1.00 0.00 O ATOM 909 CB TYR A 118 -8.195 -4.842 2.276 1.00 0.00 C ATOM 910 CG TYR A 118 -7.355 -6.013 2.729 1.00 0.00 C ATOM 911 CD1 TYR A 118 -6.337 -5.854 3.660 1.00 0.00 C ATOM 912 CD2 TYR A 118 -7.593 -7.290 2.228 1.00 0.00 C ATOM 913 CE1 TYR A 118 -5.582 -6.932 4.074 1.00 0.00 C ATOM 914 CE2 TYR A 118 -6.846 -8.365 2.638 1.00 0.00 C ATOM 915 CZ TYR A 118 -5.845 -8.185 3.560 1.00 0.00 C ATOM 916 OH TYR A 118 -5.079 -9.264 3.948 1.00 0.00 O ATOM 0 HA TYR A 118 -8.326 -3.607 4.034 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -8.884 -5.188 1.505 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -7.539 -4.106 1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -6.134 -4.874 4.065 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -8.380 -7.437 1.503 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.790 -6.796 4.796 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -7.044 -9.348 2.237 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.885 -9.825 3.168 1.00 0.00 H new ATOM 926 N ASP A 119 -11.187 -3.038 3.226 1.00 0.00 N ATOM 927 CA ASP A 119 -12.253 -2.142 2.765 1.00 0.00 C ATOM 928 C ASP A 119 -11.779 -0.698 2.513 1.00 0.00 C ATOM 929 O ASP A 119 -11.757 -0.229 1.360 1.00 0.00 O ATOM 930 CB ASP A 119 -13.431 -2.152 3.798 1.00 0.00 C ATOM 931 CG ASP A 119 -12.981 -2.039 5.276 1.00 0.00 C ATOM 932 OD1 ASP A 119 -12.514 -0.957 5.725 1.00 0.00 O ATOM 933 OD2 ASP A 119 -13.045 -3.047 6.011 1.00 0.00 O ATOM 0 H ASP A 119 -11.477 -3.617 4.014 1.00 0.00 H new ATOM 0 HA ASP A 119 -12.589 -2.523 1.801 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -14.105 -1.326 3.571 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -14.001 -3.073 3.673 1.00 0.00 H new ATOM 938 N ARG A 120 -11.350 -0.022 3.554 1.00 0.00 N ATOM 939 CA ARG A 120 -10.935 1.349 3.437 1.00 0.00 C ATOM 940 C ARG A 120 -9.573 1.491 2.776 1.00 0.00 C ATOM 941 O ARG A 120 -9.333 2.459 2.065 1.00 0.00 O ATOM 942 CB ARG A 120 -10.911 2.062 4.798 1.00 0.00 C ATOM 943 CG ARG A 120 -10.595 3.539 4.641 1.00 0.00 C ATOM 944 CD ARG A 120 -10.440 4.282 5.944 1.00 0.00 C ATOM 945 NE ARG A 120 -9.921 5.630 5.663 1.00 0.00 N ATOM 946 CZ ARG A 120 -8.685 6.032 5.977 1.00 0.00 C ATOM 947 NH1 ARG A 120 -8.009 5.396 6.928 1.00 0.00 N ATOM 948 NH2 ARG A 120 -8.163 7.125 5.399 1.00 0.00 N ATOM 0 H ARG A 120 -11.281 -0.407 4.496 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.681 1.824 2.799 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -11.877 1.945 5.290 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -10.166 1.595 5.443 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.675 3.643 4.065 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.389 4.009 4.060 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -11.399 4.347 6.458 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.759 3.746 6.605 1.00 0.00 H new ATOM 0 HE ARG A 120 -10.540 6.297 5.202 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -8.433 4.606 7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -7.066 5.698 7.172 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.709 7.652 4.718 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -7.220 7.429 5.641 1.00 0.00 H new ATOM 962 N VAL A 121 -8.689 0.538 2.990 1.00 0.00 N ATOM 963 CA VAL A 121 -7.333 0.690 2.489 1.00 0.00 C ATOM 964 C VAL A 121 -7.270 0.627 0.957 1.00 0.00 C ATOM 965 O VAL A 121 -6.590 1.439 0.337 1.00 0.00 O ATOM 966 CB VAL A 121 -6.294 -0.278 3.158 1.00 0.00 C ATOM 967 CG1 VAL A 121 -6.604 -1.718 2.887 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.888 0.058 2.710 1.00 0.00 C ATOM 0 H VAL A 121 -8.874 -0.329 3.494 1.00 0.00 H new ATOM 0 HA VAL A 121 -7.030 1.693 2.788 1.00 0.00 H new ATOM 0 HB VAL A 121 -6.366 -0.131 4.236 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.857 -2.348 3.370 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -7.592 -1.958 3.281 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -6.589 -1.897 1.812 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -4.182 -0.624 3.184 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.817 -0.042 1.627 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.650 1.083 2.996 1.00 0.00 H new ATOM 978 N TYR A 122 -8.028 -0.276 0.354 1.00 0.00 N ATOM 979 CA TYR A 122 -8.009 -0.420 -1.090 1.00 0.00 C ATOM 980 C TYR A 122 -8.654 0.817 -1.754 1.00 0.00 C ATOM 981 O TYR A 122 -8.057 1.451 -2.638 1.00 0.00 O ATOM 982 CB TYR A 122 -8.719 -1.726 -1.514 1.00 0.00 C ATOM 983 CG TYR A 122 -8.620 -2.034 -2.995 1.00 0.00 C ATOM 984 CD1 TYR A 122 -9.485 -1.444 -3.896 1.00 0.00 C ATOM 985 CD2 TYR A 122 -7.649 -2.906 -3.488 1.00 0.00 C ATOM 986 CE1 TYR A 122 -9.404 -1.696 -5.235 1.00 0.00 C ATOM 987 CE2 TYR A 122 -7.551 -3.169 -4.845 1.00 0.00 C ATOM 988 CZ TYR A 122 -8.435 -2.557 -5.717 1.00 0.00 C ATOM 989 OH TYR A 122 -8.345 -2.803 -7.083 1.00 0.00 O ATOM 0 H TYR A 122 -8.659 -0.914 0.839 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.975 -0.484 -1.428 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -8.293 -2.557 -0.952 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.771 -1.661 -1.237 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -10.244 -0.767 -3.532 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -6.964 -3.383 -2.802 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -10.096 -1.224 -5.917 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -6.794 -3.843 -5.218 1.00 0.00 H new ATOM 0 HH TYR A 122 -7.611 -3.429 -7.255 1.00 0.00 H new ATOM 999 N ASN A 123 -9.868 1.134 -1.324 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.614 2.314 -1.811 1.00 0.00 C ATOM 1001 C ASN A 123 -9.842 3.614 -1.559 1.00 0.00 C ATOM 1002 O ASN A 123 -9.686 4.435 -2.468 1.00 0.00 O ATOM 1003 CB ASN A 123 -12.005 2.379 -1.151 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.847 3.621 -1.522 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -13.643 4.082 -0.720 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -12.693 4.157 -2.720 1.00 0.00 N ATOM 0 H ASN A 123 -10.374 0.587 -0.627 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.737 2.206 -2.889 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -12.564 1.485 -1.427 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.878 2.355 -0.069 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -13.245 4.971 -2.989 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -12.022 3.756 -3.376 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.336 3.774 -0.349 1.00 0.00 N ATOM 1014 CA GLY A 124 -8.588 4.962 -0.001 1.00 0.00 C ATOM 1015 C GLY A 124 -7.365 5.116 -0.864 1.00 0.00 C ATOM 1016 O GLY A 124 -7.077 6.207 -1.355 1.00 0.00 O ATOM 0 H GLY A 124 -9.431 3.095 0.406 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.225 5.840 -0.111 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.291 4.913 1.047 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.661 4.015 -1.081 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.491 4.023 -1.915 1.00 0.00 C ATOM 1022 C TYR A 125 -5.821 4.415 -3.339 1.00 0.00 C ATOM 1023 O TYR A 125 -5.227 5.318 -3.848 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.741 2.691 -1.862 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.636 2.561 -2.891 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.402 3.177 -2.729 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -3.838 1.809 -4.026 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.407 3.035 -3.687 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -2.867 1.664 -4.969 1.00 0.00 C ATOM 1030 CZ TYR A 125 -1.652 2.265 -4.804 1.00 0.00 C ATOM 1031 OH TYR A 125 -0.691 2.132 -5.786 1.00 0.00 O ATOM 0 H TYR A 125 -6.890 3.104 -0.684 1.00 0.00 H new ATOM 0 HA TYR A 125 -4.823 4.784 -1.513 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.313 2.567 -0.867 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -5.454 1.879 -2.006 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.214 3.773 -1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.791 1.322 -4.172 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.452 3.522 -3.559 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -3.058 1.071 -5.851 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.738 2.898 -6.396 1.00 0.00 H new ATOM 1041 N MET A 126 -6.813 3.768 -3.958 1.00 0.00 N ATOM 1042 CA MET A 126 -7.161 4.047 -5.378 1.00 0.00 C ATOM 1043 C MET A 126 -7.521 5.508 -5.638 1.00 0.00 C ATOM 1044 O MET A 126 -7.386 5.998 -6.760 1.00 0.00 O ATOM 1045 CB MET A 126 -8.198 3.041 -5.966 1.00 0.00 C ATOM 1046 CG MET A 126 -9.566 2.953 -5.283 1.00 0.00 C ATOM 1047 SD MET A 126 -10.640 4.393 -5.512 1.00 0.00 S ATOM 1048 CE MET A 126 -10.844 4.419 -7.296 1.00 0.00 C ATOM 0 H MET A 126 -7.391 3.053 -3.515 1.00 0.00 H new ATOM 0 HA MET A 126 -6.242 3.876 -5.939 1.00 0.00 H new ATOM 0 HB2 MET A 126 -8.361 3.299 -7.012 1.00 0.00 H new ATOM 0 HB3 MET A 126 -7.749 2.048 -5.949 1.00 0.00 H new ATOM 0 HG2 MET A 126 -10.085 2.071 -5.658 1.00 0.00 H new ATOM 0 HG3 MET A 126 -9.411 2.802 -4.215 1.00 0.00 H new ATOM 0 HE1 MET A 126 -11.710 5.029 -7.554 1.00 0.00 H new ATOM 0 HE2 MET A 126 -9.952 4.841 -7.758 1.00 0.00 H new ATOM 0 HE3 MET A 126 -10.994 3.403 -7.660 1.00 0.00 H new ATOM 1058 N THR A 127 -7.915 6.198 -4.593 1.00 0.00 N ATOM 1059 CA THR A 127 -8.239 7.598 -4.656 1.00 0.00 C ATOM 1060 C THR A 127 -6.956 8.463 -4.956 1.00 0.00 C ATOM 1061 O THR A 127 -7.052 9.573 -5.462 1.00 0.00 O ATOM 1062 CB THR A 127 -8.920 8.031 -3.324 1.00 0.00 C ATOM 1063 OG1 THR A 127 -10.057 7.174 -3.071 1.00 0.00 O ATOM 1064 CG2 THR A 127 -9.408 9.475 -3.384 1.00 0.00 C ATOM 0 H THR A 127 -8.020 5.793 -3.663 1.00 0.00 H new ATOM 0 HA THR A 127 -8.936 7.768 -5.477 1.00 0.00 H new ATOM 0 HB THR A 127 -8.180 7.947 -2.528 1.00 0.00 H new ATOM 0 HG1 THR A 127 -9.743 6.280 -2.820 1.00 0.00 H new ATOM 0 HG21 THR A 127 -9.877 9.740 -2.437 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.562 10.138 -3.568 1.00 0.00 H new ATOM 0 HG23 THR A 127 -10.134 9.581 -4.190 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.749 7.899 -4.707 1.00 0.00 N ATOM 1073 CA TYR A 128 -4.482 8.640 -4.915 1.00 0.00 C ATOM 1074 C TYR A 128 -4.218 8.887 -6.404 1.00 0.00 C ATOM 1075 O TYR A 128 -3.355 9.679 -6.751 1.00 0.00 O ATOM 1076 CB TYR A 128 -3.251 7.916 -4.296 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.533 6.935 -5.233 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.147 5.787 -5.661 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -1.238 7.186 -5.690 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -2.537 4.915 -6.494 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.606 6.297 -6.543 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.274 5.160 -6.937 1.00 0.00 C ATOM 1083 OH TYR A 128 -0.692 4.257 -7.786 1.00 0.00 O ATOM 0 H TYR A 128 -5.627 6.945 -4.366 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.611 9.593 -4.401 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.535 8.668 -3.965 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.577 7.374 -3.408 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.150 5.572 -5.322 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.724 8.082 -5.375 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.054 4.021 -6.809 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.396 6.493 -6.894 1.00 0.00 H new ATOM 0 HH TYR A 128 0.243 4.118 -7.526 1.00 0.00 H new ATOM 1093 N ARG A 129 -4.969 8.191 -7.278 1.00 0.00 N ATOM 1094 CA ARG A 129 -4.780 8.296 -8.739 1.00 0.00 C ATOM 1095 C ARG A 129 -5.151 9.694 -9.287 1.00 0.00 C ATOM 1096 O ARG A 129 -5.138 9.920 -10.486 1.00 0.00 O ATOM 1097 CB ARG A 129 -5.548 7.199 -9.505 1.00 0.00 C ATOM 1098 CG ARG A 129 -5.079 5.748 -9.309 1.00 0.00 C ATOM 1099 CD ARG A 129 -3.582 5.513 -9.604 1.00 0.00 C ATOM 1100 NE ARG A 129 -3.114 6.134 -10.838 1.00 0.00 N ATOM 1101 CZ ARG A 129 -2.756 5.516 -11.959 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -2.859 4.180 -12.072 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -2.255 6.233 -12.953 1.00 0.00 N ATOM 0 H ARG A 129 -5.712 7.550 -6.999 1.00 0.00 H new ATOM 0 HA ARG A 129 -3.714 8.146 -8.909 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.598 7.257 -9.217 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.496 7.430 -10.569 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.285 5.449 -8.281 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.670 5.098 -9.955 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -2.994 5.897 -8.771 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -3.397 4.440 -9.657 1.00 0.00 H new ATOM 0 HE ARG A 129 -3.055 7.152 -10.841 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -3.215 3.628 -11.292 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -2.581 3.718 -12.938 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.149 7.242 -12.851 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -1.975 5.776 -13.821 1.00 0.00 H new ATOM 1117 N ASP A 130 -5.515 10.589 -8.386 1.00 0.00 N ATOM 1118 CA ASP A 130 -5.754 11.997 -8.702 1.00 0.00 C ATOM 1119 C ASP A 130 -4.403 12.700 -8.876 1.00 0.00 C ATOM 1120 O ASP A 130 -4.244 13.602 -9.693 1.00 0.00 O ATOM 1121 CB ASP A 130 -6.545 12.645 -7.552 1.00 0.00 C ATOM 1122 CG ASP A 130 -6.802 14.135 -7.737 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -7.776 14.488 -8.438 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -6.053 14.946 -7.146 1.00 0.00 O ATOM 0 H ASP A 130 -5.656 10.362 -7.402 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.329 12.087 -9.623 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -7.501 12.132 -7.449 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -6.000 12.494 -6.620 1.00 0.00 H new ATOM 1129 N TYR A 131 -3.404 12.208 -8.134 1.00 0.00 N ATOM 1130 CA TYR A 131 -2.068 12.780 -8.171 1.00 0.00 C ATOM 1131 C TYR A 131 -1.304 12.287 -9.400 1.00 0.00 C ATOM 1132 O TYR A 131 -0.462 13.005 -9.949 1.00 0.00 O ATOM 1133 CB TYR A 131 -1.255 12.398 -6.916 1.00 0.00 C ATOM 1134 CG TYR A 131 -1.819 12.848 -5.575 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -1.848 14.191 -5.221 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -2.274 11.916 -4.646 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -2.318 14.593 -3.980 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -2.752 12.309 -3.408 1.00 0.00 C ATOM 1139 CZ TYR A 131 -2.771 13.647 -3.079 1.00 0.00 C ATOM 1140 OH TYR A 131 -3.225 14.042 -1.842 1.00 0.00 O ATOM 0 H TYR A 131 -3.504 11.414 -7.502 1.00 0.00 H new ATOM 0 HA TYR A 131 -2.189 13.863 -8.210 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -1.151 11.313 -6.895 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -0.252 12.813 -7.020 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -1.499 14.934 -5.923 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -2.254 10.866 -4.896 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -2.330 15.641 -3.718 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -3.108 11.571 -2.704 1.00 0.00 H new ATOM 0 HH TYR A 131 -2.787 13.508 -1.147 1.00 0.00 H new ATOM 1150 N VAL A 132 -1.585 11.060 -9.798 1.00 0.00 N ATOM 1151 CA VAL A 132 -0.918 10.400 -10.893 1.00 0.00 C ATOM 1152 C VAL A 132 -1.683 9.121 -11.189 1.00 0.00 C ATOM 1153 O VAL A 132 -1.875 8.758 -12.369 1.00 0.00 O ATOM 1154 CB VAL A 132 0.595 10.088 -10.570 1.00 0.00 C ATOM 1155 CG1 VAL A 132 0.757 9.186 -9.344 1.00 0.00 C ATOM 1156 CG2 VAL A 132 1.307 9.489 -11.780 1.00 0.00 C ATOM 1157 OXT VAL A 132 -2.174 8.507 -10.223 1.00 0.00 O ATOM 0 H VAL A 132 -2.302 10.485 -9.355 1.00 0.00 H new ATOM 0 HA VAL A 132 -0.910 11.058 -11.762 1.00 0.00 H new ATOM 0 HB VAL A 132 1.065 11.042 -10.331 1.00 0.00 H new ATOM 0 HG11 VAL A 132 1.816 9.002 -9.165 1.00 0.00 H new ATOM 0 HG12 VAL A 132 0.321 9.675 -8.473 1.00 0.00 H new ATOM 0 HG13 VAL A 132 0.249 8.238 -9.520 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.347 9.285 -11.526 1.00 0.00 H new ATOM 0 HG22 VAL A 132 0.815 8.560 -12.069 1.00 0.00 H new ATOM 0 HG23 VAL A 132 1.268 10.194 -12.611 1.00 0.00 H new