USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=21 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 -92:sc= 1.29 USER MOD Set 1.2: A 128 TYR OH : rot -127:sc= -1.41! USER MOD Set 2.1: A 107 SER OG : rot 61:sc= 1.27 USER MOD Set 2.2: A 122 TYR OH : rot 23:sc= 1.09 USER MOD Set 3.1: A 102 THR OG1 : rot 180:sc= -0.0457 USER MOD Set 3.2: A 105 GLN : amide:sc= 0.183 K(o=0.14,f=-4.7!) USER MOD Set 4.1: A 95 LYS NZ :NH3+ -151:sc= 1.06 (180deg=0.115) USER MOD Set 4.2: A 101 TYR OH : rot 80:sc= 0.915 USER MOD Single : A 72 LYS NZ :NH3+ 170:sc= 1.18 (180deg=1.02) USER MOD Single : A 76 LYS NZ :NH3+ -146:sc= 2.11 (180deg=1.11) USER MOD Single : A 77 LYS NZ :NH3+ -131:sc= 0.55 (180deg=0.247) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 170:sc= -0.0087 (180deg=-0.179) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 86:sc= 1.27 USER MOD Single : A 88 LYS NZ :NH3+ -143:sc= -0.108! (180deg=-3.95!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.252 F(o=-1.4!,f=-0.25) USER MOD Single : A 99 LYS NZ :NH3+ 173:sc= 0.745 (180deg=0.381) USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 162:sc= -0.0261 (180deg=-0.262) USER MOD Single : A 118 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 97:sc= 1.24 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 7.954 -7.078 -0.552 1.00 0.00 N ATOM 152 CA GLU A 71 7.737 -5.846 0.211 1.00 0.00 C ATOM 153 C GLU A 71 6.303 -5.801 0.724 1.00 0.00 C ATOM 154 O GLU A 71 5.974 -5.022 1.629 1.00 0.00 O ATOM 155 CB GLU A 71 8.076 -4.560 -0.590 1.00 0.00 C ATOM 156 CG GLU A 71 7.120 -4.209 -1.733 1.00 0.00 C ATOM 157 CD GLU A 71 7.122 -5.207 -2.853 1.00 0.00 C ATOM 158 OE1 GLU A 71 6.426 -6.221 -2.759 1.00 0.00 O ATOM 159 OE2 GLU A 71 7.799 -4.978 -3.857 1.00 0.00 O ATOM 0 HA GLU A 71 8.429 -5.867 1.053 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.104 -3.720 0.104 1.00 0.00 H new ATOM 0 HB3 GLU A 71 9.079 -4.667 -1.002 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.109 -4.125 -1.335 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.388 -3.230 -2.131 1.00 0.00 H new ATOM 166 N LYS A 72 5.465 -6.655 0.130 1.00 0.00 N ATOM 167 CA LYS A 72 4.070 -6.851 0.514 1.00 0.00 C ATOM 168 C LYS A 72 3.886 -7.000 2.036 1.00 0.00 C ATOM 169 O LYS A 72 2.930 -6.477 2.612 1.00 0.00 O ATOM 170 CB LYS A 72 3.474 -8.088 -0.199 1.00 0.00 C ATOM 171 CG LYS A 72 4.378 -9.321 -0.249 1.00 0.00 C ATOM 172 CD LYS A 72 3.640 -10.559 -0.787 1.00 0.00 C ATOM 173 CE LYS A 72 2.892 -10.302 -2.107 1.00 0.00 C ATOM 174 NZ LYS A 72 3.766 -9.864 -3.225 1.00 0.00 N ATOM 0 H LYS A 72 5.749 -7.244 -0.653 1.00 0.00 H new ATOM 0 HA LYS A 72 3.538 -5.952 0.202 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.545 -8.361 0.301 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.216 -7.807 -1.220 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.241 -9.111 -0.880 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.758 -9.532 0.751 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.359 -11.364 -0.937 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.928 -10.903 -0.036 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.373 -11.214 -2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.129 -9.542 -1.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.225 -9.875 -4.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.109 -8.900 -3.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 4.577 -10.510 -3.305 1.00 0.00 H new ATOM 188 N ALA A 73 4.831 -7.670 2.682 1.00 0.00 N ATOM 189 CA ALA A 73 4.757 -7.932 4.114 1.00 0.00 C ATOM 190 C ALA A 73 4.933 -6.650 4.937 1.00 0.00 C ATOM 191 O ALA A 73 4.460 -6.551 6.085 1.00 0.00 O ATOM 192 CB ALA A 73 5.788 -8.971 4.510 1.00 0.00 C ATOM 0 H ALA A 73 5.666 -8.045 2.232 1.00 0.00 H new ATOM 0 HA ALA A 73 3.762 -8.321 4.331 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.723 -9.158 5.582 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.598 -9.897 3.968 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.785 -8.606 4.265 1.00 0.00 H new ATOM 198 N ALA A 74 5.631 -5.691 4.376 1.00 0.00 N ATOM 199 CA ALA A 74 5.826 -4.409 5.017 1.00 0.00 C ATOM 200 C ALA A 74 4.655 -3.502 4.701 1.00 0.00 C ATOM 201 O ALA A 74 4.216 -2.724 5.540 1.00 0.00 O ATOM 202 CB ALA A 74 7.137 -3.777 4.572 1.00 0.00 C ATOM 0 H ALA A 74 6.080 -5.776 3.464 1.00 0.00 H new ATOM 0 HA ALA A 74 5.879 -4.555 6.096 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.263 -2.814 5.066 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.966 -4.433 4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.122 -3.631 3.492 1.00 0.00 H new ATOM 208 N VAL A 75 4.136 -3.643 3.493 1.00 0.00 N ATOM 209 CA VAL A 75 3.017 -2.841 3.023 1.00 0.00 C ATOM 210 C VAL A 75 1.754 -3.093 3.858 1.00 0.00 C ATOM 211 O VAL A 75 1.041 -2.149 4.198 1.00 0.00 O ATOM 212 CB VAL A 75 2.735 -3.081 1.515 1.00 0.00 C ATOM 213 CG1 VAL A 75 1.532 -2.280 1.054 1.00 0.00 C ATOM 214 CG2 VAL A 75 3.949 -2.708 0.676 1.00 0.00 C ATOM 0 H VAL A 75 4.479 -4.318 2.809 1.00 0.00 H new ATOM 0 HA VAL A 75 3.300 -1.796 3.148 1.00 0.00 H new ATOM 0 HB VAL A 75 2.522 -4.142 1.382 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.356 -2.466 -0.005 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.654 -2.580 1.626 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.721 -1.218 1.210 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.731 -2.883 -0.377 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.186 -1.655 0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.801 -3.318 0.977 1.00 0.00 H new ATOM 224 N LYS A 76 1.515 -4.358 4.232 1.00 0.00 N ATOM 225 CA LYS A 76 0.341 -4.715 5.058 1.00 0.00 C ATOM 226 C LYS A 76 0.329 -3.963 6.393 1.00 0.00 C ATOM 227 O LYS A 76 -0.729 -3.710 6.961 1.00 0.00 O ATOM 228 CB LYS A 76 0.277 -6.207 5.353 1.00 0.00 C ATOM 229 CG LYS A 76 0.135 -7.109 4.144 1.00 0.00 C ATOM 230 CD LYS A 76 -0.033 -8.558 4.600 1.00 0.00 C ATOM 231 CE LYS A 76 0.019 -9.581 3.456 1.00 0.00 C ATOM 232 NZ LYS A 76 -1.009 -9.350 2.416 1.00 0.00 N ATOM 0 H LYS A 76 2.110 -5.148 3.981 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.527 -4.425 4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.181 -6.491 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.564 -6.391 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.725 -6.803 3.549 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.013 -7.018 3.505 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.749 -8.794 5.321 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.986 -8.657 5.119 1.00 0.00 H new ATOM 0 HE2 LYS A 76 1.006 -9.550 2.995 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.109 -10.582 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.326 -10.263 2.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -1.820 -8.850 2.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.605 -8.774 1.650 1.00 0.00 H new ATOM 246 N LYS A 77 1.506 -3.592 6.868 1.00 0.00 N ATOM 247 CA LYS A 77 1.631 -2.883 8.128 1.00 0.00 C ATOM 248 C LYS A 77 1.093 -1.475 7.988 1.00 0.00 C ATOM 249 O LYS A 77 0.360 -0.988 8.851 1.00 0.00 O ATOM 250 CB LYS A 77 3.085 -2.869 8.600 1.00 0.00 C ATOM 251 CG LYS A 77 3.632 -4.250 8.883 1.00 0.00 C ATOM 252 CD LYS A 77 5.056 -4.195 9.410 1.00 0.00 C ATOM 253 CE LYS A 77 5.593 -5.588 9.721 1.00 0.00 C ATOM 254 NZ LYS A 77 5.724 -6.433 8.501 1.00 0.00 N ATOM 0 H LYS A 77 2.392 -3.772 6.396 1.00 0.00 H new ATOM 0 HA LYS A 77 1.042 -3.404 8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.702 -2.389 7.840 1.00 0.00 H new ATOM 0 HB3 LYS A 77 3.162 -2.263 9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 77 2.994 -4.752 9.611 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.605 -4.846 7.971 1.00 0.00 H new ATOM 0 HD2 LYS A 77 5.699 -3.713 8.674 1.00 0.00 H new ATOM 0 HD3 LYS A 77 5.088 -3.582 10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 77 6.566 -5.500 10.204 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.928 -6.080 10.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.285 -7.360 8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.248 -5.966 7.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 6.731 -6.563 8.276 1.00 0.00 H new ATOM 268 N MET A 78 1.410 -0.851 6.872 1.00 0.00 N ATOM 269 CA MET A 78 0.940 0.491 6.603 1.00 0.00 C ATOM 270 C MET A 78 -0.521 0.468 6.197 1.00 0.00 C ATOM 271 O MET A 78 -1.258 1.422 6.431 1.00 0.00 O ATOM 272 CB MET A 78 1.787 1.193 5.546 1.00 0.00 C ATOM 273 CG MET A 78 3.169 1.609 6.022 1.00 0.00 C ATOM 274 SD MET A 78 3.100 2.831 7.354 1.00 0.00 S ATOM 275 CE MET A 78 4.849 3.134 7.616 1.00 0.00 C ATOM 0 H MET A 78 1.992 -1.253 6.137 1.00 0.00 H new ATOM 0 HA MET A 78 1.039 1.065 7.524 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.896 0.531 4.687 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.254 2.078 5.200 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.712 0.729 6.368 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.731 2.021 5.183 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.976 3.869 8.411 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.341 2.204 7.900 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.294 3.514 6.696 1.00 0.00 H new ATOM 285 N ALA A 79 -0.930 -0.640 5.600 1.00 0.00 N ATOM 286 CA ALA A 79 -2.313 -0.864 5.222 1.00 0.00 C ATOM 287 C ALA A 79 -3.183 -0.853 6.469 1.00 0.00 C ATOM 288 O ALA A 79 -4.197 -0.159 6.542 1.00 0.00 O ATOM 289 CB ALA A 79 -2.441 -2.197 4.503 1.00 0.00 C ATOM 0 H ALA A 79 -0.307 -1.412 5.363 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.642 -0.072 4.549 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.481 -2.360 4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.820 -2.188 3.607 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.114 -3.000 5.164 1.00 0.00 H new ATOM 295 N LYS A 80 -2.735 -1.605 7.447 1.00 0.00 N ATOM 296 CA LYS A 80 -3.367 -1.703 8.747 1.00 0.00 C ATOM 297 C LYS A 80 -3.359 -0.343 9.448 1.00 0.00 C ATOM 298 O LYS A 80 -4.306 0.004 10.156 1.00 0.00 O ATOM 299 CB LYS A 80 -2.641 -2.810 9.579 1.00 0.00 C ATOM 300 CG LYS A 80 -3.082 -3.008 11.046 1.00 0.00 C ATOM 301 CD LYS A 80 -2.471 -1.964 11.992 1.00 0.00 C ATOM 302 CE LYS A 80 -2.934 -2.158 13.425 1.00 0.00 C ATOM 303 NZ LYS A 80 -2.520 -3.481 13.969 1.00 0.00 N ATOM 0 H LYS A 80 -1.898 -2.182 7.361 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.413 -1.990 8.640 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.769 -3.759 9.059 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.574 -2.587 9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -4.169 -2.954 11.105 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.794 -4.006 11.377 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.384 -2.028 11.950 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.744 -0.964 11.654 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.524 -1.364 14.049 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.020 -2.070 13.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.704 -3.508 14.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.062 -4.234 13.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.505 -3.625 13.795 1.00 0.00 H new ATOM 317 N ALA A 81 -2.291 0.409 9.251 1.00 0.00 N ATOM 318 CA ALA A 81 -2.159 1.720 9.852 1.00 0.00 C ATOM 319 C ALA A 81 -3.204 2.677 9.298 1.00 0.00 C ATOM 320 O ALA A 81 -3.879 3.347 10.052 1.00 0.00 O ATOM 321 CB ALA A 81 -0.753 2.266 9.657 1.00 0.00 C ATOM 0 H ALA A 81 -1.498 0.129 8.674 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.332 1.622 10.924 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.678 3.251 10.117 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.033 1.593 10.123 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.538 2.346 8.591 1.00 0.00 H new ATOM 327 N ILE A 82 -3.375 2.680 7.981 1.00 0.00 N ATOM 328 CA ILE A 82 -4.360 3.555 7.325 1.00 0.00 C ATOM 329 C ILE A 82 -5.791 3.084 7.633 1.00 0.00 C ATOM 330 O ILE A 82 -6.767 3.867 7.618 1.00 0.00 O ATOM 331 CB ILE A 82 -4.126 3.619 5.797 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.720 4.145 5.518 1.00 0.00 C ATOM 333 CG2 ILE A 82 -5.175 4.500 5.102 1.00 0.00 C ATOM 334 CD1 ILE A 82 -2.364 4.180 4.057 1.00 0.00 C ATOM 0 H ILE A 82 -2.847 2.088 7.339 1.00 0.00 H new ATOM 0 HA ILE A 82 -4.231 4.561 7.725 1.00 0.00 H new ATOM 0 HB ILE A 82 -4.226 2.612 5.392 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.630 5.151 5.928 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.998 3.521 6.044 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.979 4.522 4.030 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -6.170 4.091 5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.122 5.513 5.501 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.351 4.565 3.938 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.420 3.173 3.645 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.063 4.828 3.528 1.00 0.00 H new ATOM 346 N MET A 83 -5.907 1.814 7.929 1.00 0.00 N ATOM 347 CA MET A 83 -7.163 1.223 8.313 1.00 0.00 C ATOM 348 C MET A 83 -7.575 1.677 9.728 1.00 0.00 C ATOM 349 O MET A 83 -8.751 1.624 10.098 1.00 0.00 O ATOM 350 CB MET A 83 -7.092 -0.304 8.178 1.00 0.00 C ATOM 351 CG MET A 83 -8.275 -1.047 8.742 1.00 0.00 C ATOM 352 SD MET A 83 -8.160 -2.832 8.476 1.00 0.00 S ATOM 353 CE MET A 83 -9.689 -3.379 9.233 1.00 0.00 C ATOM 0 H MET A 83 -5.127 1.157 7.910 1.00 0.00 H new ATOM 0 HA MET A 83 -7.944 1.571 7.637 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.993 -0.556 7.122 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.189 -0.657 8.676 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.351 -0.846 9.811 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.189 -0.672 8.282 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.768 -4.463 9.151 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.697 -3.093 10.285 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.534 -2.914 8.724 1.00 0.00 H new ATOM 363 N ALA A 84 -6.614 2.148 10.489 1.00 0.00 N ATOM 364 CA ALA A 84 -6.877 2.692 11.804 1.00 0.00 C ATOM 365 C ALA A 84 -6.917 4.221 11.723 1.00 0.00 C ATOM 366 O ALA A 84 -7.896 4.865 12.138 1.00 0.00 O ATOM 367 CB ALA A 84 -5.810 2.233 12.791 1.00 0.00 C ATOM 0 H ALA A 84 -5.631 2.166 10.217 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.842 2.330 12.158 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.021 2.650 13.776 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.813 1.145 12.850 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.831 2.575 12.454 1.00 0.00 H new ATOM 373 N ASP A 85 -5.902 4.778 11.106 1.00 0.00 N ATOM 374 CA ASP A 85 -5.737 6.233 10.960 1.00 0.00 C ATOM 375 C ASP A 85 -5.720 6.646 9.495 1.00 0.00 C ATOM 376 O ASP A 85 -4.970 6.100 8.706 1.00 0.00 O ATOM 377 CB ASP A 85 -4.449 6.736 11.633 1.00 0.00 C ATOM 378 CG ASP A 85 -4.146 8.174 11.235 1.00 0.00 C ATOM 379 OD1 ASP A 85 -4.866 9.088 11.675 1.00 0.00 O ATOM 380 OD2 ASP A 85 -3.224 8.397 10.417 1.00 0.00 O ATOM 0 H ASP A 85 -5.148 4.239 10.680 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.595 6.688 11.456 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.552 6.669 12.716 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.614 6.094 11.352 1.00 0.00 H new ATOM 385 N PRO A 86 -6.563 7.608 9.095 1.00 0.00 N ATOM 386 CA PRO A 86 -6.604 8.081 7.728 1.00 0.00 C ATOM 387 C PRO A 86 -5.756 9.350 7.505 1.00 0.00 C ATOM 388 O PRO A 86 -5.783 9.925 6.419 1.00 0.00 O ATOM 389 CB PRO A 86 -8.086 8.410 7.570 1.00 0.00 C ATOM 390 CG PRO A 86 -8.503 8.930 8.919 1.00 0.00 C ATOM 391 CD PRO A 86 -7.555 8.323 9.938 1.00 0.00 C ATOM 0 HA PRO A 86 -6.204 7.357 7.019 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.246 9.155 6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.661 7.527 7.290 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.453 10.019 8.946 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.534 8.653 9.138 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.083 9.088 10.554 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.073 7.643 10.615 1.00 0.00 H new ATOM 399 N SER A 87 -5.007 9.761 8.509 1.00 0.00 N ATOM 400 CA SER A 87 -4.257 10.993 8.438 1.00 0.00 C ATOM 401 C SER A 87 -2.883 10.744 7.816 1.00 0.00 C ATOM 402 O SER A 87 -2.527 11.358 6.826 1.00 0.00 O ATOM 403 CB SER A 87 -4.098 11.563 9.846 1.00 0.00 C ATOM 404 OG SER A 87 -5.328 11.486 10.560 1.00 0.00 O ATOM 0 H SER A 87 -4.903 9.254 9.388 1.00 0.00 H new ATOM 0 HA SER A 87 -4.793 11.706 7.812 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.325 11.012 10.382 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.769 12.600 9.789 1.00 0.00 H new ATOM 0 HG SER A 87 -5.407 10.604 10.981 1.00 0.00 H new ATOM 410 N LYS A 88 -2.159 9.766 8.361 1.00 0.00 N ATOM 411 CA LYS A 88 -0.800 9.450 7.921 1.00 0.00 C ATOM 412 C LYS A 88 -0.771 8.753 6.560 1.00 0.00 C ATOM 413 O LYS A 88 0.305 8.380 6.049 1.00 0.00 O ATOM 414 CB LYS A 88 0.042 8.727 9.020 1.00 0.00 C ATOM 415 CG LYS A 88 -0.357 7.290 9.423 1.00 0.00 C ATOM 416 CD LYS A 88 0.041 6.198 8.398 1.00 0.00 C ATOM 417 CE LYS A 88 1.582 6.019 8.213 1.00 0.00 C ATOM 418 NZ LYS A 88 2.253 7.181 7.542 1.00 0.00 N ATOM 0 H LYS A 88 -2.497 9.172 9.118 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.296 10.404 7.766 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.078 8.702 8.682 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.015 9.344 9.918 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.104 7.055 10.382 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.436 7.255 9.571 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.388 5.247 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.403 6.443 7.433 1.00 0.00 H new ATOM 0 HE2 LYS A 88 2.039 5.863 9.190 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.765 5.118 7.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 3.005 6.832 6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 1.554 7.710 6.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.666 7.807 8.263 1.00 0.00 H new ATOM 432 N ALA A 89 -1.957 8.472 6.047 1.00 0.00 N ATOM 433 CA ALA A 89 -2.158 7.832 4.755 1.00 0.00 C ATOM 434 C ALA A 89 -1.372 8.527 3.631 1.00 0.00 C ATOM 435 O ALA A 89 -0.906 7.868 2.703 1.00 0.00 O ATOM 436 CB ALA A 89 -3.639 7.822 4.412 1.00 0.00 C ATOM 0 H ALA A 89 -2.830 8.688 6.529 1.00 0.00 H new ATOM 0 HA ALA A 89 -1.783 6.812 4.835 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.785 7.342 3.444 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.186 7.270 5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.009 8.846 4.369 1.00 0.00 H new ATOM 442 N ASP A 90 -1.194 9.835 3.759 1.00 0.00 N ATOM 443 CA ASP A 90 -0.486 10.669 2.769 1.00 0.00 C ATOM 444 C ASP A 90 0.941 10.142 2.538 1.00 0.00 C ATOM 445 O ASP A 90 1.336 9.855 1.398 1.00 0.00 O ATOM 446 CB ASP A 90 -0.468 12.160 3.229 1.00 0.00 C ATOM 447 CG ASP A 90 0.324 12.420 4.524 1.00 0.00 C ATOM 448 OD1 ASP A 90 0.340 11.519 5.420 1.00 0.00 O ATOM 449 OD2 ASP A 90 0.924 13.493 4.645 1.00 0.00 O ATOM 0 H ASP A 90 -1.538 10.364 4.561 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.020 10.613 1.820 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.043 12.768 2.430 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.495 12.495 3.373 1.00 0.00 H new ATOM 454 N ASP A 91 1.663 9.962 3.628 1.00 0.00 N ATOM 455 CA ASP A 91 3.024 9.407 3.661 1.00 0.00 C ATOM 456 C ASP A 91 3.103 8.036 2.996 1.00 0.00 C ATOM 457 O ASP A 91 4.051 7.726 2.263 1.00 0.00 O ATOM 458 CB ASP A 91 3.496 9.323 5.123 1.00 0.00 C ATOM 459 CG ASP A 91 4.609 8.316 5.359 1.00 0.00 C ATOM 460 OD1 ASP A 91 5.738 8.555 4.933 1.00 0.00 O ATOM 461 OD2 ASP A 91 4.311 7.253 6.000 1.00 0.00 O ATOM 0 H ASP A 91 1.314 10.204 4.555 1.00 0.00 H new ATOM 0 HA ASP A 91 3.677 10.070 3.094 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.839 10.308 5.440 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.646 9.063 5.754 1.00 0.00 H new ATOM 466 N VAL A 92 2.080 7.254 3.181 1.00 0.00 N ATOM 467 CA VAL A 92 2.072 5.913 2.663 1.00 0.00 C ATOM 468 C VAL A 92 1.786 5.938 1.168 1.00 0.00 C ATOM 469 O VAL A 92 2.410 5.213 0.400 1.00 0.00 O ATOM 470 CB VAL A 92 1.028 5.056 3.376 1.00 0.00 C ATOM 471 CG1 VAL A 92 1.143 3.619 2.953 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.160 5.173 4.874 1.00 0.00 C ATOM 0 H VAL A 92 1.236 7.521 3.688 1.00 0.00 H new ATOM 0 HA VAL A 92 3.054 5.473 2.839 1.00 0.00 H new ATOM 0 HB VAL A 92 0.043 5.425 3.091 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.391 3.026 3.472 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.986 3.543 1.877 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.136 3.245 3.202 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.404 4.552 5.355 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.152 4.839 5.179 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.020 6.212 5.172 1.00 0.00 H new ATOM 482 N TYR A 93 0.863 6.804 0.759 1.00 0.00 N ATOM 483 CA TYR A 93 0.534 6.964 -0.659 1.00 0.00 C ATOM 484 C TYR A 93 1.746 7.493 -1.393 1.00 0.00 C ATOM 485 O TYR A 93 1.997 7.129 -2.531 1.00 0.00 O ATOM 486 CB TYR A 93 -0.673 7.897 -0.871 1.00 0.00 C ATOM 487 CG TYR A 93 -2.016 7.356 -0.385 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.110 6.191 0.372 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.188 8.026 -0.688 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.323 5.719 0.811 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.411 7.556 -0.254 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.472 6.400 0.496 1.00 0.00 C ATOM 493 OH TYR A 93 -5.684 5.933 0.942 1.00 0.00 O ATOM 0 H TYR A 93 0.329 7.406 1.386 1.00 0.00 H new ATOM 0 HA TYR A 93 0.255 5.989 -1.057 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.475 8.840 -0.361 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -0.755 8.121 -1.935 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.210 5.647 0.619 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.145 8.932 -1.274 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.372 4.816 1.401 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.316 8.091 -0.501 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.398 6.529 0.634 1.00 0.00 H new ATOM 503 N GLN A 94 2.488 8.345 -0.708 1.00 0.00 N ATOM 504 CA GLN A 94 3.763 8.869 -1.173 1.00 0.00 C ATOM 505 C GLN A 94 4.710 7.703 -1.471 1.00 0.00 C ATOM 506 O GLN A 94 5.151 7.535 -2.595 1.00 0.00 O ATOM 507 CB GLN A 94 4.356 9.712 -0.061 1.00 0.00 C ATOM 508 CG GLN A 94 5.774 10.203 -0.288 1.00 0.00 C ATOM 509 CD GLN A 94 6.489 10.476 1.026 1.00 0.00 C ATOM 510 OE1 GLN A 94 6.210 9.658 2.033 1.00 0.00 O flip ATOM 511 NE2 GLN A 94 7.326 11.364 1.114 1.00 0.00 N flip ATOM 0 H GLN A 94 2.216 8.701 0.208 1.00 0.00 H new ATOM 0 HA GLN A 94 3.623 9.464 -2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.713 10.578 0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 94 4.336 9.130 0.860 1.00 0.00 H new ATOM 0 HG2 GLN A 94 6.330 9.459 -0.858 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.753 11.113 -0.887 1.00 0.00 H new ATOM 0 HE21 GLN A 94 7.511 11.972 0.316 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.839 11.497 1.985 1.00 0.00 H new ATOM 520 N LYS A 95 4.940 6.870 -0.446 1.00 0.00 N ATOM 521 CA LYS A 95 5.847 5.713 -0.519 1.00 0.00 C ATOM 522 C LYS A 95 5.363 4.721 -1.583 1.00 0.00 C ATOM 523 O LYS A 95 6.136 3.919 -2.121 1.00 0.00 O ATOM 524 CB LYS A 95 5.948 5.053 0.905 1.00 0.00 C ATOM 525 CG LYS A 95 6.950 3.875 1.096 1.00 0.00 C ATOM 526 CD LYS A 95 6.462 2.545 0.498 1.00 0.00 C ATOM 527 CE LYS A 95 7.486 1.429 0.692 1.00 0.00 C ATOM 528 NZ LYS A 95 7.079 0.150 0.024 1.00 0.00 N ATOM 0 H LYS A 95 4.498 6.981 0.466 1.00 0.00 H new ATOM 0 HA LYS A 95 6.844 6.036 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 95 6.212 5.835 1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.955 4.695 1.178 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.902 4.142 0.637 1.00 0.00 H new ATOM 0 HG3 LYS A 95 7.137 3.738 2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.520 2.260 0.966 1.00 0.00 H new ATOM 0 HD3 LYS A 95 6.263 2.676 -0.566 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.449 1.751 0.295 1.00 0.00 H new ATOM 0 HE3 LYS A 95 7.625 1.250 1.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 7.481 -0.656 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 6.042 0.076 0.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.431 0.142 -0.954 1.00 0.00 H new ATOM 542 N TRP A 96 4.100 4.749 -1.859 1.00 0.00 N ATOM 543 CA TRP A 96 3.564 3.871 -2.866 1.00 0.00 C ATOM 544 C TRP A 96 3.727 4.430 -4.274 1.00 0.00 C ATOM 545 O TRP A 96 4.231 3.736 -5.170 1.00 0.00 O ATOM 546 CB TRP A 96 2.116 3.433 -2.592 1.00 0.00 C ATOM 547 CG TRP A 96 1.926 2.517 -1.401 1.00 0.00 C ATOM 548 CD1 TRP A 96 2.845 1.670 -0.853 1.00 0.00 C ATOM 549 CD2 TRP A 96 0.717 2.323 -0.651 1.00 0.00 C ATOM 550 NE1 TRP A 96 2.286 0.975 0.189 1.00 0.00 N ATOM 551 CE2 TRP A 96 0.983 1.356 0.331 1.00 0.00 C ATOM 552 CE3 TRP A 96 -0.560 2.874 -0.712 1.00 0.00 C ATOM 553 CZ2 TRP A 96 0.015 0.929 1.245 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -1.518 2.451 0.191 1.00 0.00 C ATOM 555 CH2 TRP A 96 -1.225 1.487 1.156 1.00 0.00 C ATOM 0 H TRP A 96 3.419 5.362 -1.410 1.00 0.00 H new ATOM 0 HA TRP A 96 4.169 2.966 -2.805 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.507 4.325 -2.443 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.733 2.930 -3.480 1.00 0.00 H new ATOM 0 HD1 TRP A 96 3.865 1.562 -1.191 1.00 0.00 H new ATOM 0 HE1 TRP A 96 2.767 0.284 0.765 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.799 3.621 -1.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.242 0.184 1.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.511 2.874 0.148 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -1.996 1.177 1.846 1.00 0.00 H new ATOM 566 N ALA A 97 3.344 5.669 -4.460 1.00 0.00 N ATOM 567 CA ALA A 97 3.394 6.298 -5.765 1.00 0.00 C ATOM 568 C ALA A 97 4.822 6.592 -6.203 1.00 0.00 C ATOM 569 O ALA A 97 5.113 6.602 -7.390 1.00 0.00 O ATOM 570 CB ALA A 97 2.561 7.571 -5.777 1.00 0.00 C ATOM 0 H ALA A 97 2.990 6.271 -3.717 1.00 0.00 H new ATOM 0 HA ALA A 97 2.972 5.592 -6.481 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.611 8.029 -6.765 1.00 0.00 H new ATOM 0 HB2 ALA A 97 1.525 7.330 -5.541 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.950 8.267 -5.034 1.00 0.00 H new ATOM 576 N ASP A 98 5.723 6.782 -5.243 1.00 0.00 N ATOM 577 CA ASP A 98 7.115 7.135 -5.576 1.00 0.00 C ATOM 578 C ASP A 98 7.871 5.899 -6.059 1.00 0.00 C ATOM 579 O ASP A 98 8.844 5.994 -6.798 1.00 0.00 O ATOM 580 CB ASP A 98 7.849 7.801 -4.377 1.00 0.00 C ATOM 581 CG ASP A 98 8.672 6.845 -3.531 1.00 0.00 C ATOM 582 OD1 ASP A 98 8.107 6.066 -2.716 1.00 0.00 O ATOM 583 OD2 ASP A 98 9.923 6.853 -3.642 1.00 0.00 O ATOM 0 H ASP A 98 5.528 6.701 -4.245 1.00 0.00 H new ATOM 0 HA ASP A 98 7.088 7.869 -6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.504 8.584 -4.758 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.110 8.286 -3.739 1.00 0.00 H new ATOM 588 N LYS A 99 7.389 4.734 -5.655 1.00 0.00 N ATOM 589 CA LYS A 99 7.990 3.479 -6.072 1.00 0.00 C ATOM 590 C LYS A 99 7.284 2.946 -7.301 1.00 0.00 C ATOM 591 O LYS A 99 7.695 1.945 -7.886 1.00 0.00 O ATOM 592 CB LYS A 99 7.930 2.447 -4.952 1.00 0.00 C ATOM 593 CG LYS A 99 8.629 2.870 -3.674 1.00 0.00 C ATOM 594 CD LYS A 99 10.128 3.080 -3.883 1.00 0.00 C ATOM 595 CE LYS A 99 10.824 3.532 -2.603 1.00 0.00 C ATOM 596 NZ LYS A 99 10.353 4.847 -2.139 1.00 0.00 N ATOM 0 H LYS A 99 6.583 4.633 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 99 9.037 3.667 -6.311 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.885 2.233 -4.727 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.377 1.518 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.182 3.793 -3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.473 2.111 -2.907 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.579 2.151 -4.233 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.285 3.824 -4.664 1.00 0.00 H new ATOM 0 HE2 LYS A 99 10.655 2.792 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 99 11.900 3.575 -2.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.767 5.055 -1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.643 5.579 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.316 4.837 -2.062 1.00 0.00 H new ATOM 610 N GLY A 100 6.200 3.600 -7.654 1.00 0.00 N ATOM 611 CA GLY A 100 5.462 3.246 -8.832 1.00 0.00 C ATOM 612 C GLY A 100 4.594 2.027 -8.651 1.00 0.00 C ATOM 613 O GLY A 100 4.377 1.274 -9.603 1.00 0.00 O ATOM 0 H GLY A 100 5.812 4.386 -7.132 1.00 0.00 H new ATOM 0 HA2 GLY A 100 4.836 4.088 -9.126 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.161 3.067 -9.649 1.00 0.00 H new ATOM 617 N TYR A 101 4.103 1.804 -7.439 1.00 0.00 N ATOM 618 CA TYR A 101 3.211 0.679 -7.233 1.00 0.00 C ATOM 619 C TYR A 101 1.854 0.998 -7.831 1.00 0.00 C ATOM 620 O TYR A 101 1.335 2.107 -7.676 1.00 0.00 O ATOM 621 CB TYR A 101 3.014 0.326 -5.759 1.00 0.00 C ATOM 622 CG TYR A 101 4.267 0.053 -4.963 1.00 0.00 C ATOM 623 CD1 TYR A 101 5.253 -0.829 -5.396 1.00 0.00 C ATOM 624 CD2 TYR A 101 4.436 0.663 -3.750 1.00 0.00 C ATOM 625 CE1 TYR A 101 6.377 -1.069 -4.615 1.00 0.00 C ATOM 626 CE2 TYR A 101 5.538 0.439 -2.972 1.00 0.00 C ATOM 627 CZ TYR A 101 6.505 -0.422 -3.398 1.00 0.00 C ATOM 628 OH TYR A 101 7.618 -0.633 -2.598 1.00 0.00 O ATOM 0 H TYR A 101 4.300 2.367 -6.612 1.00 0.00 H new ATOM 0 HA TYR A 101 3.675 -0.179 -7.719 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.476 1.144 -5.280 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.373 -0.554 -5.701 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.144 -1.331 -6.346 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.675 1.343 -3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.142 -1.752 -4.954 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.642 0.943 -2.022 1.00 0.00 H new ATOM 0 HH TYR A 101 8.367 -0.095 -2.931 1.00 0.00 H new ATOM 638 N THR A 102 1.296 0.062 -8.521 1.00 0.00 N ATOM 639 CA THR A 102 -0.002 0.242 -9.087 1.00 0.00 C ATOM 640 C THR A 102 -1.061 -0.413 -8.197 1.00 0.00 C ATOM 641 O THR A 102 -0.735 -1.279 -7.387 1.00 0.00 O ATOM 642 CB THR A 102 -0.060 -0.315 -10.518 1.00 0.00 C ATOM 643 OG1 THR A 102 0.454 -1.645 -10.533 1.00 0.00 O ATOM 644 CG2 THR A 102 0.746 0.555 -11.474 1.00 0.00 C ATOM 0 H THR A 102 1.722 -0.846 -8.709 1.00 0.00 H new ATOM 0 HA THR A 102 -0.211 1.310 -9.142 1.00 0.00 H new ATOM 0 HB THR A 102 -1.099 -0.316 -10.847 1.00 0.00 H new ATOM 0 HG1 THR A 102 0.415 -2.000 -11.445 1.00 0.00 H new ATOM 0 HG21 THR A 102 0.689 0.139 -12.480 1.00 0.00 H new ATOM 0 HG22 THR A 102 0.340 1.567 -11.476 1.00 0.00 H new ATOM 0 HG23 THR A 102 1.787 0.582 -11.151 1.00 0.00 H new ATOM 652 N LEU A 103 -2.317 0.006 -8.347 1.00 0.00 N ATOM 653 CA LEU A 103 -3.451 -0.511 -7.545 1.00 0.00 C ATOM 654 C LEU A 103 -3.539 -2.055 -7.578 1.00 0.00 C ATOM 655 O LEU A 103 -3.831 -2.697 -6.563 1.00 0.00 O ATOM 656 CB LEU A 103 -4.769 0.091 -8.047 1.00 0.00 C ATOM 657 CG LEU A 103 -6.022 -0.270 -7.243 1.00 0.00 C ATOM 658 CD1 LEU A 103 -5.980 0.353 -5.854 1.00 0.00 C ATOM 659 CD2 LEU A 103 -7.275 0.144 -7.988 1.00 0.00 C ATOM 0 H LEU A 103 -2.589 0.716 -9.027 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.275 -0.213 -6.511 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.669 1.176 -8.058 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.920 -0.225 -9.079 1.00 0.00 H new ATOM 0 HG LEU A 103 -6.044 -1.353 -7.120 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.882 0.080 -5.306 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.104 -0.013 -5.318 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.924 1.438 -5.943 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -8.153 -0.122 -7.399 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -7.261 1.221 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -7.313 -0.369 -8.949 1.00 0.00 H new ATOM 671 N THR A 104 -3.253 -2.635 -8.727 1.00 0.00 N ATOM 672 CA THR A 104 -3.295 -4.080 -8.889 1.00 0.00 C ATOM 673 C THR A 104 -2.190 -4.761 -8.039 1.00 0.00 C ATOM 674 O THR A 104 -2.419 -5.796 -7.409 1.00 0.00 O ATOM 675 CB THR A 104 -3.215 -4.486 -10.400 1.00 0.00 C ATOM 676 OG1 THR A 104 -3.174 -5.904 -10.559 1.00 0.00 O ATOM 677 CG2 THR A 104 -2.017 -3.845 -11.093 1.00 0.00 C ATOM 0 H THR A 104 -2.987 -2.126 -9.570 1.00 0.00 H new ATOM 0 HA THR A 104 -4.256 -4.438 -8.519 1.00 0.00 H new ATOM 0 HB THR A 104 -4.123 -4.113 -10.874 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.126 -6.125 -11.513 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.996 -4.150 -12.139 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.100 -2.760 -11.033 1.00 0.00 H new ATOM 0 HG23 THR A 104 -1.098 -4.166 -10.602 1.00 0.00 H new ATOM 685 N GLN A 105 -1.035 -4.119 -7.957 1.00 0.00 N ATOM 686 CA GLN A 105 0.069 -4.620 -7.155 1.00 0.00 C ATOM 687 C GLN A 105 -0.225 -4.361 -5.693 1.00 0.00 C ATOM 688 O GLN A 105 0.130 -5.140 -4.828 1.00 0.00 O ATOM 689 CB GLN A 105 1.355 -3.915 -7.548 1.00 0.00 C ATOM 690 CG GLN A 105 1.782 -4.158 -8.978 1.00 0.00 C ATOM 691 CD GLN A 105 2.981 -3.334 -9.363 1.00 0.00 C ATOM 692 OE1 GLN A 105 3.175 -2.233 -8.861 1.00 0.00 O ATOM 693 NE2 GLN A 105 3.800 -3.862 -10.226 1.00 0.00 N ATOM 0 H GLN A 105 -0.838 -3.243 -8.441 1.00 0.00 H new ATOM 0 HA GLN A 105 0.186 -5.690 -7.325 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.230 -2.843 -7.395 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.153 -4.241 -6.882 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.012 -5.215 -9.112 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.954 -3.925 -9.647 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.602 -4.781 -10.621 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.640 -3.356 -10.508 1.00 0.00 H new ATOM 702 N LEU A 106 -0.893 -3.253 -5.445 1.00 0.00 N ATOM 703 CA LEU A 106 -1.289 -2.842 -4.116 1.00 0.00 C ATOM 704 C LEU A 106 -2.261 -3.872 -3.530 1.00 0.00 C ATOM 705 O LEU A 106 -2.220 -4.167 -2.335 1.00 0.00 O ATOM 706 CB LEU A 106 -1.881 -1.405 -4.191 1.00 0.00 C ATOM 707 CG LEU A 106 -2.167 -0.640 -2.880 1.00 0.00 C ATOM 708 CD1 LEU A 106 -3.429 -1.117 -2.189 1.00 0.00 C ATOM 709 CD2 LEU A 106 -0.976 -0.726 -1.948 1.00 0.00 C ATOM 0 H LEU A 106 -1.181 -2.602 -6.176 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.434 -2.804 -3.441 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.196 -0.798 -4.783 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.816 -1.464 -4.748 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.334 0.403 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.581 -0.545 -1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.283 -0.975 -2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.332 -2.175 -1.944 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -1.193 -0.182 -1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.773 -1.771 -1.712 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.103 -0.287 -2.432 1.00 0.00 H new ATOM 721 N SER A 107 -3.089 -4.446 -4.393 1.00 0.00 N ATOM 722 CA SER A 107 -4.005 -5.501 -3.997 1.00 0.00 C ATOM 723 C SER A 107 -3.188 -6.678 -3.459 1.00 0.00 C ATOM 724 O SER A 107 -3.408 -7.156 -2.325 1.00 0.00 O ATOM 725 CB SER A 107 -4.812 -5.973 -5.218 1.00 0.00 C ATOM 726 OG SER A 107 -5.441 -4.887 -5.893 1.00 0.00 O ATOM 0 H SER A 107 -3.143 -4.194 -5.380 1.00 0.00 H new ATOM 0 HA SER A 107 -4.688 -5.128 -3.234 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.151 -6.496 -5.909 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.569 -6.689 -4.898 1.00 0.00 H new ATOM 0 HG SER A 107 -4.758 -4.261 -6.212 1.00 0.00 H new ATOM 732 N ASP A 108 -2.193 -7.070 -4.263 1.00 0.00 N ATOM 733 CA ASP A 108 -1.301 -8.209 -4.003 1.00 0.00 C ATOM 734 C ASP A 108 -0.534 -8.015 -2.695 1.00 0.00 C ATOM 735 O ASP A 108 -0.235 -8.976 -1.973 1.00 0.00 O ATOM 736 CB ASP A 108 -0.340 -8.371 -5.200 1.00 0.00 C ATOM 737 CG ASP A 108 0.597 -9.561 -5.111 1.00 0.00 C ATOM 738 OD1 ASP A 108 0.144 -10.706 -5.357 1.00 0.00 O ATOM 739 OD2 ASP A 108 1.806 -9.363 -4.858 1.00 0.00 O ATOM 0 H ASP A 108 -1.979 -6.591 -5.138 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.892 -9.118 -3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.931 -8.460 -6.112 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.257 -7.464 -5.294 1.00 0.00 H new ATOM 744 N PHE A 109 -0.263 -6.763 -2.372 1.00 0.00 N ATOM 745 CA PHE A 109 0.422 -6.424 -1.144 1.00 0.00 C ATOM 746 C PHE A 109 -0.473 -6.625 0.059 1.00 0.00 C ATOM 747 O PHE A 109 -0.092 -7.276 1.024 1.00 0.00 O ATOM 748 CB PHE A 109 0.885 -4.966 -1.134 1.00 0.00 C ATOM 749 CG PHE A 109 1.858 -4.566 -2.191 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.737 -5.470 -2.729 1.00 0.00 C ATOM 751 CD2 PHE A 109 1.887 -3.263 -2.644 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.624 -5.098 -3.686 1.00 0.00 C ATOM 753 CE2 PHE A 109 2.776 -2.878 -3.610 1.00 0.00 C ATOM 754 CZ PHE A 109 3.652 -3.797 -4.133 1.00 0.00 C ATOM 0 H PHE A 109 -0.511 -5.960 -2.951 1.00 0.00 H new ATOM 0 HA PHE A 109 1.285 -7.087 -1.091 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.005 -4.329 -1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.333 -4.758 -0.162 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.723 -6.494 -2.386 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.200 -2.539 -2.231 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.309 -5.824 -4.098 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.789 -1.856 -3.960 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.360 -3.500 -4.892 1.00 0.00 H new ATOM 764 N LEU A 110 -1.664 -6.097 -0.019 1.00 0.00 N ATOM 765 CA LEU A 110 -2.595 -6.074 1.105 1.00 0.00 C ATOM 766 C LEU A 110 -3.267 -7.399 1.355 1.00 0.00 C ATOM 767 O LEU A 110 -3.349 -7.869 2.505 1.00 0.00 O ATOM 768 CB LEU A 110 -3.646 -4.985 0.916 1.00 0.00 C ATOM 769 CG LEU A 110 -3.262 -3.561 1.346 1.00 0.00 C ATOM 770 CD1 LEU A 110 -1.980 -3.082 0.695 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.387 -2.611 1.031 1.00 0.00 C ATOM 0 H LEU A 110 -2.030 -5.664 -0.867 1.00 0.00 H new ATOM 0 HA LEU A 110 -1.993 -5.855 1.987 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.919 -4.958 -0.139 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.539 -5.277 1.469 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.085 -3.584 2.421 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.756 -2.071 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.161 -3.747 0.971 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.099 -3.084 -0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.109 -1.603 1.338 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.583 -2.622 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.284 -2.919 1.568 1.00 0.00 H new ATOM 783 N LYS A 111 -3.696 -8.027 0.325 1.00 0.00 N ATOM 784 CA LYS A 111 -4.432 -9.246 0.459 1.00 0.00 C ATOM 785 C LYS A 111 -3.737 -10.307 -0.370 1.00 0.00 C ATOM 786 O LYS A 111 -3.059 -11.185 0.165 1.00 0.00 O ATOM 787 CB LYS A 111 -5.900 -8.980 -0.021 1.00 0.00 C ATOM 788 CG LYS A 111 -6.977 -10.067 0.229 1.00 0.00 C ATOM 789 CD LYS A 111 -6.736 -11.366 -0.532 1.00 0.00 C ATOM 790 CE LYS A 111 -7.957 -12.269 -0.507 1.00 0.00 C ATOM 791 NZ LYS A 111 -9.065 -11.709 -1.325 1.00 0.00 N ATOM 0 H LYS A 111 -3.552 -7.719 -0.637 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.472 -9.596 1.490 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -6.242 -8.061 0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.867 -8.789 -1.094 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -7.017 -10.285 1.296 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -7.952 -9.669 -0.052 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -6.473 -11.139 -1.565 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -5.887 -11.891 -0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -7.689 -13.256 -0.883 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -8.293 -12.400 0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -9.751 -12.460 -1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -9.538 -10.949 -0.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -8.682 -11.325 -2.212 1.00 0.00 H new ATOM 905 N TYR A 118 -9.035 -4.727 4.021 1.00 0.00 N ATOM 906 CA TYR A 118 -8.310 -3.489 3.885 1.00 0.00 C ATOM 907 C TYR A 118 -8.941 -2.581 2.851 1.00 0.00 C ATOM 908 O TYR A 118 -8.272 -1.753 2.281 1.00 0.00 O ATOM 909 CB TYR A 118 -6.858 -3.849 3.513 1.00 0.00 C ATOM 910 CG TYR A 118 -6.269 -4.851 4.483 1.00 0.00 C ATOM 911 CD1 TYR A 118 -5.659 -4.442 5.663 1.00 0.00 C ATOM 912 CD2 TYR A 118 -6.390 -6.218 4.243 1.00 0.00 C ATOM 913 CE1 TYR A 118 -5.197 -5.379 6.580 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.923 -7.145 5.134 1.00 0.00 C ATOM 915 CZ TYR A 118 -5.332 -6.731 6.301 1.00 0.00 C ATOM 916 OH TYR A 118 -4.923 -7.683 7.223 1.00 0.00 O ATOM 0 HA TYR A 118 -8.335 -2.933 4.822 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -6.831 -4.259 2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.248 -2.946 3.507 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.543 -3.388 5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.864 -6.554 3.332 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.737 -5.057 7.502 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -6.019 -8.199 4.920 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.092 -8.579 6.865 1.00 0.00 H new ATOM 926 N ASP A 119 -10.234 -2.731 2.635 1.00 0.00 N ATOM 927 CA ASP A 119 -10.966 -1.906 1.666 1.00 0.00 C ATOM 928 C ASP A 119 -10.799 -0.423 1.968 1.00 0.00 C ATOM 929 O ASP A 119 -10.578 0.373 1.071 1.00 0.00 O ATOM 930 CB ASP A 119 -12.440 -2.261 1.637 1.00 0.00 C ATOM 931 CG ASP A 119 -13.186 -1.414 0.633 1.00 0.00 C ATOM 932 OD1 ASP A 119 -12.859 -1.509 -0.575 1.00 0.00 O ATOM 933 OD2 ASP A 119 -14.083 -0.674 1.021 1.00 0.00 O ATOM 0 H ASP A 119 -10.812 -3.420 3.117 1.00 0.00 H new ATOM 0 HA ASP A 119 -10.541 -2.114 0.684 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.558 -3.315 1.386 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.871 -2.119 2.628 1.00 0.00 H new ATOM 938 N ARG A 120 -10.820 -0.088 3.259 1.00 0.00 N ATOM 939 CA ARG A 120 -10.632 1.288 3.723 1.00 0.00 C ATOM 940 C ARG A 120 -9.342 1.911 3.165 1.00 0.00 C ATOM 941 O ARG A 120 -9.340 3.049 2.704 1.00 0.00 O ATOM 942 CB ARG A 120 -10.627 1.345 5.263 1.00 0.00 C ATOM 943 CG ARG A 120 -10.264 2.716 5.817 1.00 0.00 C ATOM 944 CD ARG A 120 -10.382 2.770 7.321 1.00 0.00 C ATOM 945 NE ARG A 120 -9.651 3.920 7.865 1.00 0.00 N ATOM 946 CZ ARG A 120 -9.758 4.397 9.110 1.00 0.00 C ATOM 947 NH1 ARG A 120 -10.723 3.967 9.927 1.00 0.00 N ATOM 948 NH2 ARG A 120 -8.898 5.304 9.531 1.00 0.00 N ATOM 0 H ARG A 120 -10.967 -0.761 4.011 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.471 1.873 3.347 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -11.612 1.061 5.633 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.919 0.609 5.644 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -9.244 2.966 5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.916 3.469 5.375 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -11.432 2.835 7.605 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -9.991 1.849 7.753 1.00 0.00 H new ATOM 0 HE ARG A 120 -9.004 4.398 7.238 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -11.390 3.266 9.604 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.793 4.339 10.874 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -8.160 5.635 8.909 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -8.970 5.675 10.479 1.00 0.00 H new ATOM 962 N VAL A 121 -8.265 1.157 3.203 1.00 0.00 N ATOM 963 CA VAL A 121 -6.999 1.649 2.712 1.00 0.00 C ATOM 964 C VAL A 121 -6.897 1.458 1.180 1.00 0.00 C ATOM 965 O VAL A 121 -6.361 2.301 0.470 1.00 0.00 O ATOM 966 CB VAL A 121 -5.764 1.000 3.467 1.00 0.00 C ATOM 967 CG1 VAL A 121 -5.778 -0.491 3.395 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.460 1.540 2.925 1.00 0.00 C ATOM 0 H VAL A 121 -8.241 0.205 3.568 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.960 2.717 2.925 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.853 1.277 4.518 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.913 -0.889 3.926 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.691 -0.869 3.854 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.740 -0.805 2.352 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.627 1.081 3.457 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.384 1.308 1.863 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.428 2.621 3.064 1.00 0.00 H new ATOM 978 N TYR A 122 -7.488 0.385 0.696 1.00 0.00 N ATOM 979 CA TYR A 122 -7.430 0.004 -0.706 1.00 0.00 C ATOM 980 C TYR A 122 -8.215 0.966 -1.600 1.00 0.00 C ATOM 981 O TYR A 122 -7.656 1.573 -2.516 1.00 0.00 O ATOM 982 CB TYR A 122 -7.965 -1.425 -0.859 1.00 0.00 C ATOM 983 CG TYR A 122 -7.938 -1.961 -2.261 1.00 0.00 C ATOM 984 CD1 TYR A 122 -6.750 -2.352 -2.832 1.00 0.00 C ATOM 985 CD2 TYR A 122 -9.101 -2.075 -3.012 1.00 0.00 C ATOM 986 CE1 TYR A 122 -6.707 -2.841 -4.105 1.00 0.00 C ATOM 987 CE2 TYR A 122 -9.068 -2.571 -4.295 1.00 0.00 C ATOM 988 CZ TYR A 122 -7.864 -2.953 -4.838 1.00 0.00 C ATOM 989 OH TYR A 122 -7.810 -3.453 -6.117 1.00 0.00 O ATOM 0 H TYR A 122 -8.031 -0.259 1.272 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.390 0.051 -1.029 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.380 -2.087 -0.221 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.991 -1.455 -0.493 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.835 -2.271 -2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.044 -1.770 -2.583 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -5.763 -3.140 -4.537 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -9.978 -2.659 -4.869 1.00 0.00 H new ATOM 0 HH TYR A 122 -7.006 -4.003 -6.219 1.00 0.00 H new ATOM 999 N ASN A 123 -9.492 1.112 -1.315 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.384 1.947 -2.115 1.00 0.00 C ATOM 1001 C ASN A 123 -10.011 3.421 -1.999 1.00 0.00 C ATOM 1002 O ASN A 123 -10.153 4.184 -2.953 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.858 1.698 -1.725 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.848 2.570 -2.489 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -13.277 2.232 -3.586 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -13.254 3.669 -1.896 1.00 0.00 N ATOM 0 H ASN A 123 -9.948 0.658 -0.523 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.266 1.668 -3.162 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -12.099 0.650 -1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.978 1.878 -0.657 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -13.945 4.267 -2.349 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -12.879 3.924 -0.983 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.487 3.806 -0.842 1.00 0.00 N ATOM 1014 CA GLY A 124 -9.063 5.178 -0.638 1.00 0.00 C ATOM 1015 C GLY A 124 -7.854 5.516 -1.492 1.00 0.00 C ATOM 1016 O GLY A 124 -7.738 6.631 -2.024 1.00 0.00 O ATOM 0 H GLY A 124 -9.348 3.191 -0.040 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.883 5.854 -0.881 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.823 5.334 0.414 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.989 4.531 -1.666 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.768 4.676 -2.432 1.00 0.00 C ATOM 1022 C TYR A 125 -6.048 4.889 -3.920 1.00 0.00 C ATOM 1023 O TYR A 125 -5.278 5.565 -4.599 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.855 3.462 -2.197 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.583 3.449 -3.015 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.624 4.445 -2.877 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -3.339 2.428 -3.915 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.461 4.417 -3.618 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -2.182 2.392 -4.655 1.00 0.00 C ATOM 1030 CZ TYR A 125 -1.248 3.385 -4.503 1.00 0.00 C ATOM 1031 OH TYR A 125 -0.100 3.347 -5.246 1.00 0.00 O ATOM 0 H TYR A 125 -7.119 3.598 -1.274 1.00 0.00 H new ATOM 0 HA TYR A 125 -5.253 5.571 -2.084 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.590 3.425 -1.140 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -5.419 2.555 -2.416 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.792 5.252 -2.180 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.072 1.644 -4.039 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.724 5.198 -3.505 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -2.009 1.586 -5.353 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.252 3.793 -6.105 1.00 0.00 H new ATOM 1041 N MET A 126 -7.173 4.350 -4.403 1.00 0.00 N ATOM 1042 CA MET A 126 -7.590 4.471 -5.821 1.00 0.00 C ATOM 1043 C MET A 126 -7.563 5.925 -6.312 1.00 0.00 C ATOM 1044 O MET A 126 -7.213 6.184 -7.447 1.00 0.00 O ATOM 1045 CB MET A 126 -8.991 3.861 -6.033 1.00 0.00 C ATOM 1046 CG MET A 126 -9.580 4.094 -7.429 1.00 0.00 C ATOM 1047 SD MET A 126 -8.589 3.376 -8.760 1.00 0.00 S ATOM 1048 CE MET A 126 -9.479 4.002 -10.187 1.00 0.00 C ATOM 0 H MET A 126 -7.826 3.816 -3.829 1.00 0.00 H new ATOM 0 HA MET A 126 -6.866 3.912 -6.414 1.00 0.00 H new ATOM 0 HB2 MET A 126 -8.938 2.788 -5.849 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.671 4.278 -5.291 1.00 0.00 H new ATOM 0 HG2 MET A 126 -10.584 3.671 -7.466 1.00 0.00 H new ATOM 0 HG3 MET A 126 -9.679 5.166 -7.598 1.00 0.00 H new ATOM 0 HE1 MET A 126 -8.997 3.651 -11.099 1.00 0.00 H new ATOM 0 HE2 MET A 126 -10.508 3.644 -10.160 1.00 0.00 H new ATOM 0 HE3 MET A 126 -9.473 5.092 -10.170 1.00 0.00 H new ATOM 1058 N THR A 127 -7.850 6.850 -5.415 1.00 0.00 N ATOM 1059 CA THR A 127 -7.897 8.285 -5.698 1.00 0.00 C ATOM 1060 C THR A 127 -6.557 8.819 -6.320 1.00 0.00 C ATOM 1061 O THR A 127 -6.526 9.871 -6.946 1.00 0.00 O ATOM 1062 CB THR A 127 -8.174 9.030 -4.374 1.00 0.00 C ATOM 1063 OG1 THR A 127 -9.182 8.308 -3.636 1.00 0.00 O ATOM 1064 CG2 THR A 127 -8.676 10.449 -4.633 1.00 0.00 C ATOM 0 H THR A 127 -8.063 6.626 -4.443 1.00 0.00 H new ATOM 0 HA THR A 127 -8.685 8.462 -6.430 1.00 0.00 H new ATOM 0 HB THR A 127 -7.244 9.089 -3.809 1.00 0.00 H new ATOM 0 HG1 THR A 127 -8.751 7.732 -2.970 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.862 10.948 -3.682 1.00 0.00 H new ATOM 0 HG22 THR A 127 -7.924 11.004 -5.193 1.00 0.00 H new ATOM 0 HG23 THR A 127 -9.601 10.408 -5.209 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.462 8.080 -6.149 1.00 0.00 N ATOM 1073 CA TYR A 128 -4.169 8.521 -6.660 1.00 0.00 C ATOM 1074 C TYR A 128 -4.077 8.267 -8.169 1.00 0.00 C ATOM 1075 O TYR A 128 -3.312 8.909 -8.874 1.00 0.00 O ATOM 1076 CB TYR A 128 -3.013 7.762 -5.948 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.519 6.471 -6.653 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.363 5.376 -6.918 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -1.197 6.373 -7.071 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -2.900 4.261 -7.574 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.732 5.254 -7.723 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.586 4.204 -7.975 1.00 0.00 C ATOM 1083 OH TYR A 128 -1.123 3.094 -8.641 1.00 0.00 O ATOM 0 H TYR A 128 -5.445 7.182 -5.665 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.076 9.589 -6.463 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.168 8.442 -5.842 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.340 7.501 -4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.394 5.413 -6.600 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.520 7.193 -6.880 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.565 3.434 -7.774 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.300 5.200 -8.036 1.00 0.00 H new ATOM 0 HH TYR A 128 -0.320 2.755 -8.193 1.00 0.00 H new ATOM 1093 N ARG A 129 -4.917 7.366 -8.647 1.00 0.00 N ATOM 1094 CA ARG A 129 -4.814 6.809 -9.984 1.00 0.00 C ATOM 1095 C ARG A 129 -5.306 7.795 -11.038 1.00 0.00 C ATOM 1096 O ARG A 129 -5.093 7.608 -12.247 1.00 0.00 O ATOM 1097 CB ARG A 129 -5.579 5.467 -9.991 1.00 0.00 C ATOM 1098 CG ARG A 129 -5.421 4.541 -11.200 1.00 0.00 C ATOM 1099 CD ARG A 129 -3.956 4.237 -11.547 1.00 0.00 C ATOM 1100 NE ARG A 129 -3.359 5.332 -12.308 1.00 0.00 N ATOM 1101 CZ ARG A 129 -2.229 5.986 -12.014 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -1.457 5.607 -11.007 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -1.881 7.025 -12.745 1.00 0.00 N ATOM 0 H ARG A 129 -5.701 6.996 -8.110 1.00 0.00 H new ATOM 0 HA ARG A 129 -3.773 6.620 -10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.277 4.909 -9.105 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.640 5.690 -9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.942 3.604 -11.002 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.904 4.998 -12.064 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -3.388 4.074 -10.631 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -3.900 3.315 -12.125 1.00 0.00 H new ATOM 0 HE ARG A 129 -3.854 5.628 -13.149 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -1.720 4.802 -10.438 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.600 6.120 -10.800 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.470 7.321 -13.523 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -1.023 7.533 -12.533 1.00 0.00 H new ATOM 1117 N ASP A 130 -5.917 8.839 -10.571 1.00 0.00 N ATOM 1118 CA ASP A 130 -6.395 9.894 -11.425 1.00 0.00 C ATOM 1119 C ASP A 130 -5.422 11.069 -11.395 1.00 0.00 C ATOM 1120 O ASP A 130 -5.615 12.062 -12.100 1.00 0.00 O ATOM 1121 CB ASP A 130 -7.783 10.367 -10.961 1.00 0.00 C ATOM 1122 CG ASP A 130 -8.822 9.259 -10.960 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -8.884 8.504 -9.958 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -9.572 9.140 -11.949 1.00 0.00 O ATOM 0 H ASP A 130 -6.102 8.989 -9.579 1.00 0.00 H new ATOM 0 HA ASP A 130 -6.470 9.511 -12.443 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -7.702 10.781 -9.956 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -8.121 11.173 -11.612 1.00 0.00 H new ATOM 1129 N TYR A 131 -4.360 10.972 -10.576 1.00 0.00 N ATOM 1130 CA TYR A 131 -3.433 12.098 -10.445 1.00 0.00 C ATOM 1131 C TYR A 131 -1.964 11.728 -10.677 1.00 0.00 C ATOM 1132 O TYR A 131 -1.215 12.528 -11.235 1.00 0.00 O ATOM 1133 CB TYR A 131 -3.593 12.794 -9.084 1.00 0.00 C ATOM 1134 CG TYR A 131 -4.967 13.388 -8.861 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -5.357 14.545 -9.522 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -5.879 12.783 -8.008 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -6.613 15.083 -9.336 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -7.139 13.313 -7.818 1.00 0.00 C ATOM 1139 CZ TYR A 131 -7.500 14.463 -8.483 1.00 0.00 C ATOM 1140 OH TYR A 131 -8.756 14.995 -8.302 1.00 0.00 O ATOM 0 H TYR A 131 -4.131 10.152 -10.014 1.00 0.00 H new ATOM 0 HA TYR A 131 -3.707 12.788 -11.243 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -3.385 12.075 -8.292 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -2.847 13.585 -9.001 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -4.665 15.032 -10.193 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.598 11.882 -7.484 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -6.900 15.985 -9.856 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -7.837 12.829 -7.152 1.00 0.00 H new ATOM 0 HH TYR A 131 -9.259 14.439 -7.671 1.00 0.00 H new ATOM 1150 N VAL A 132 -1.551 10.553 -10.255 1.00 0.00 N ATOM 1151 CA VAL A 132 -0.165 10.152 -10.397 1.00 0.00 C ATOM 1152 C VAL A 132 -0.055 8.682 -10.815 1.00 0.00 C ATOM 1153 O VAL A 132 0.162 8.426 -12.006 1.00 0.00 O ATOM 1154 CB VAL A 132 0.694 10.490 -9.121 1.00 0.00 C ATOM 1155 CG1 VAL A 132 0.099 9.907 -7.840 1.00 0.00 C ATOM 1156 CG2 VAL A 132 2.146 10.050 -9.298 1.00 0.00 C ATOM 1157 OXT VAL A 132 -0.286 7.781 -9.992 1.00 0.00 O ATOM 0 H VAL A 132 -2.152 9.859 -9.811 1.00 0.00 H new ATOM 0 HA VAL A 132 0.265 10.746 -11.203 1.00 0.00 H new ATOM 0 HB VAL A 132 0.675 11.575 -9.013 1.00 0.00 H new ATOM 0 HG11 VAL A 132 0.731 10.171 -6.992 1.00 0.00 H new ATOM 0 HG12 VAL A 132 -0.901 10.312 -7.686 1.00 0.00 H new ATOM 0 HG13 VAL A 132 0.042 8.822 -7.926 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.713 10.297 -8.400 1.00 0.00 H new ATOM 0 HG22 VAL A 132 2.182 8.974 -9.465 1.00 0.00 H new ATOM 0 HG23 VAL A 132 2.580 10.565 -10.155 1.00 0.00 H new