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 -89:sc= 0.2 USER MOD Set 1.2: A 128 TYR OH : rot -128:sc= -0.922! USER MOD Set 2.1: A 76 LYS NZ :NH3+ -154:sc= 0.592 (180deg=-0.894) USER MOD Set 2.2: A 118 TYR OH : rot 166:sc= 0.95 USER MOD Set 3.1: A 107 SER OG : rot 104:sc= 2.32 USER MOD Set 3.2: A 122 TYR OH : rot 33:sc= 1.22 USER MOD Single : A 72 LYS NZ :NH3+ -114:sc= 1.25 (180deg=0.269) USER MOD Single : A 77 LYS NZ :NH3+ -144:sc= -1.1 (180deg=-3.08!) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= -0.0229 (180deg=-0.163) USER MOD Single : A 83 MET CE :methyl 164:sc= -0.163 (180deg=-0.616) USER MOD Single : A 87 SER OG : rot 76:sc= 1.25 USER MOD Single : A 88 LYS NZ :NH3+ 166:sc= 0.514 (180deg=0.428) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.122 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.604 F(o=-1.6,f=-0.6) USER MOD Single : A 95 LYS NZ :NH3+ 146:sc= 1.29 (180deg=-0.969!) USER MOD Single : A 99 LYS NZ :NH3+ -175:sc= 1.81 (180deg=1.64) USER MOD Single : A 101 TYR OH : rot 30:sc= -0.0104 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= 0.842 K(o=0.84,f=-4.8!) USER MOD Single : A 111 LYS NZ :NH3+ -144:sc= 1.06 (180deg=0.638) USER MOD Single : A 123 ASN : amide:sc= -0.0154 K(o=-0.015,f=-0.95) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 97:sc= 1.09 USER MOD Single : A 131 TYR OH : rot -118:sc= 1.31 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 8.877 -4.615 0.137 1.00 0.00 N ATOM 152 CA GLU A 71 7.911 -3.571 0.476 1.00 0.00 C ATOM 153 C GLU A 71 6.535 -4.137 0.817 1.00 0.00 C ATOM 154 O GLU A 71 5.874 -3.609 1.653 1.00 0.00 O ATOM 155 CB GLU A 71 7.869 -2.516 -0.661 1.00 0.00 C ATOM 156 CG GLU A 71 6.742 -1.462 -0.633 1.00 0.00 C ATOM 157 CD GLU A 71 6.745 -0.484 0.539 1.00 0.00 C ATOM 158 OE1 GLU A 71 7.592 0.434 0.577 1.00 0.00 O ATOM 159 OE2 GLU A 71 5.827 -0.538 1.378 1.00 0.00 O ATOM 0 HA GLU A 71 8.241 -3.073 1.388 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.821 -1.986 -0.659 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.803 -3.050 -1.609 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.792 -0.886 -1.557 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.786 -1.986 -0.636 1.00 0.00 H new ATOM 166 N LYS A 72 6.159 -5.259 0.224 1.00 0.00 N ATOM 167 CA LYS A 72 4.852 -5.878 0.503 1.00 0.00 C ATOM 168 C LYS A 72 4.602 -6.164 1.999 1.00 0.00 C ATOM 169 O LYS A 72 3.467 -6.050 2.487 1.00 0.00 O ATOM 170 CB LYS A 72 4.662 -7.134 -0.310 1.00 0.00 C ATOM 171 CG LYS A 72 5.831 -8.090 -0.332 1.00 0.00 C ATOM 172 CD LYS A 72 5.438 -9.391 -1.055 1.00 0.00 C ATOM 173 CE LYS A 72 4.814 -9.122 -2.444 1.00 0.00 C ATOM 174 NZ LYS A 72 4.278 -10.344 -3.090 1.00 0.00 N ATOM 0 H LYS A 72 6.730 -5.766 -0.452 1.00 0.00 H new ATOM 0 HA LYS A 72 4.110 -5.138 0.205 1.00 0.00 H new ATOM 0 HB2 LYS A 72 3.791 -7.664 0.075 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.433 -6.848 -1.336 1.00 0.00 H new ATOM 0 HG2 LYS A 72 6.680 -7.627 -0.836 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.148 -8.313 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.320 -10.021 -1.171 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.728 -9.946 -0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 72 4.011 -8.392 -2.339 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.567 -8.676 -3.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.835 -10.559 -3.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.338 -11.142 -2.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.285 -10.189 -3.356 1.00 0.00 H new ATOM 188 N ALA A 73 5.660 -6.492 2.729 1.00 0.00 N ATOM 189 CA ALA A 73 5.546 -6.765 4.156 1.00 0.00 C ATOM 190 C ALA A 73 5.400 -5.458 4.943 1.00 0.00 C ATOM 191 O ALA A 73 4.872 -5.432 6.090 1.00 0.00 O ATOM 192 CB ALA A 73 6.743 -7.558 4.638 1.00 0.00 C ATOM 0 H ALA A 73 6.606 -6.575 2.357 1.00 0.00 H new ATOM 0 HA ALA A 73 4.651 -7.363 4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.644 -7.754 5.706 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.794 -8.504 4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.654 -6.988 4.457 1.00 0.00 H new ATOM 198 N ALA A 74 5.865 -4.384 4.340 1.00 0.00 N ATOM 199 CA ALA A 74 5.743 -3.062 4.898 1.00 0.00 C ATOM 200 C ALA A 74 4.387 -2.493 4.516 1.00 0.00 C ATOM 201 O ALA A 74 3.766 -1.775 5.303 1.00 0.00 O ATOM 202 CB ALA A 74 6.871 -2.158 4.415 1.00 0.00 C ATOM 0 H ALA A 74 6.343 -4.409 3.439 1.00 0.00 H new ATOM 0 HA ALA A 74 5.820 -3.118 5.984 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.755 -1.166 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.830 -2.578 4.719 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.837 -2.082 3.328 1.00 0.00 H new ATOM 208 N VAL A 75 3.925 -2.849 3.310 1.00 0.00 N ATOM 209 CA VAL A 75 2.622 -2.450 2.808 1.00 0.00 C ATOM 210 C VAL A 75 1.544 -2.859 3.784 1.00 0.00 C ATOM 211 O VAL A 75 0.827 -2.025 4.261 1.00 0.00 O ATOM 212 CB VAL A 75 2.282 -3.027 1.395 1.00 0.00 C ATOM 213 CG1 VAL A 75 0.898 -2.585 0.964 1.00 0.00 C ATOM 214 CG2 VAL A 75 3.285 -2.578 0.355 1.00 0.00 C ATOM 0 H VAL A 75 4.456 -3.426 2.658 1.00 0.00 H new ATOM 0 HA VAL A 75 2.662 -1.366 2.704 1.00 0.00 H new ATOM 0 HB VAL A 75 2.319 -4.114 1.472 1.00 0.00 H new ATOM 0 HG11 VAL A 75 0.676 -2.994 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 75 0.161 -2.946 1.682 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.860 -1.496 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.017 -2.998 -0.614 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.282 -1.490 0.292 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.280 -2.922 0.637 1.00 0.00 H new ATOM 224 N LYS A 76 1.486 -4.152 4.130 1.00 0.00 N ATOM 225 CA LYS A 76 0.479 -4.648 5.091 1.00 0.00 C ATOM 226 C LYS A 76 0.610 -3.984 6.457 1.00 0.00 C ATOM 227 O LYS A 76 -0.364 -3.854 7.194 1.00 0.00 O ATOM 228 CB LYS A 76 0.587 -6.143 5.315 1.00 0.00 C ATOM 229 CG LYS A 76 0.139 -7.020 4.172 1.00 0.00 C ATOM 230 CD LYS A 76 0.165 -8.477 4.614 1.00 0.00 C ATOM 231 CE LYS A 76 -0.488 -9.402 3.601 1.00 0.00 C ATOM 232 NZ LYS A 76 -1.892 -9.010 3.347 1.00 0.00 N ATOM 0 H LYS A 76 2.114 -4.869 3.767 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.482 -4.401 4.640 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.626 -6.381 5.543 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.001 -6.401 6.196 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.867 -6.741 3.858 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.793 -6.878 3.312 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.198 -8.787 4.772 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.347 -8.572 5.572 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.074 -9.378 2.667 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.454 -10.428 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.433 -9.841 3.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.311 -8.632 4.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.920 -8.280 2.606 1.00 0.00 H new ATOM 246 N LYS A 77 1.811 -3.570 6.780 1.00 0.00 N ATOM 247 CA LYS A 77 2.098 -2.996 8.073 1.00 0.00 C ATOM 248 C LYS A 77 1.509 -1.600 8.129 1.00 0.00 C ATOM 249 O LYS A 77 0.848 -1.223 9.095 1.00 0.00 O ATOM 250 CB LYS A 77 3.616 -2.945 8.278 1.00 0.00 C ATOM 251 CG LYS A 77 4.070 -2.813 9.722 1.00 0.00 C ATOM 252 CD LYS A 77 3.779 -4.077 10.562 1.00 0.00 C ATOM 253 CE LYS A 77 4.685 -5.295 10.216 1.00 0.00 C ATOM 254 NZ LYS A 77 4.431 -5.912 8.869 1.00 0.00 N ATOM 0 H LYS A 77 2.616 -3.621 6.156 1.00 0.00 H new ATOM 0 HA LYS A 77 1.658 -3.603 8.864 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.054 -3.850 7.858 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.015 -2.105 7.710 1.00 0.00 H new ATOM 0 HG2 LYS A 77 5.140 -2.607 9.744 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.571 -1.957 10.178 1.00 0.00 H new ATOM 0 HD2 LYS A 77 3.903 -3.835 11.618 1.00 0.00 H new ATOM 0 HD3 LYS A 77 2.736 -4.362 10.420 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.727 -4.979 10.264 1.00 0.00 H new ATOM 0 HE3 LYS A 77 4.548 -6.059 10.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.556 -6.943 8.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.459 -5.698 8.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 5.102 -5.522 8.177 1.00 0.00 H new ATOM 268 N MET A 78 1.717 -0.865 7.064 1.00 0.00 N ATOM 269 CA MET A 78 1.218 0.477 6.963 1.00 0.00 C ATOM 270 C MET A 78 -0.251 0.462 6.588 1.00 0.00 C ATOM 271 O MET A 78 -0.986 1.364 6.929 1.00 0.00 O ATOM 272 CB MET A 78 2.064 1.282 5.977 1.00 0.00 C ATOM 273 CG MET A 78 3.506 1.428 6.444 1.00 0.00 C ATOM 274 SD MET A 78 4.581 2.249 5.256 1.00 0.00 S ATOM 275 CE MET A 78 6.120 2.267 6.180 1.00 0.00 C ATOM 0 H MET A 78 2.237 -1.183 6.246 1.00 0.00 H new ATOM 0 HA MET A 78 1.298 0.970 7.932 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.047 0.794 5.003 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.624 2.271 5.846 1.00 0.00 H new ATOM 0 HG2 MET A 78 3.519 1.989 7.379 1.00 0.00 H new ATOM 0 HG3 MET A 78 3.909 0.439 6.660 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.897 2.745 5.583 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.981 2.823 7.107 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.418 1.244 6.411 1.00 0.00 H new ATOM 285 N ALA A 79 -0.675 -0.602 5.925 1.00 0.00 N ATOM 286 CA ALA A 79 -2.069 -0.813 5.559 1.00 0.00 C ATOM 287 C ALA A 79 -2.936 -0.807 6.801 1.00 0.00 C ATOM 288 O ALA A 79 -3.992 -0.180 6.837 1.00 0.00 O ATOM 289 CB ALA A 79 -2.234 -2.133 4.805 1.00 0.00 C ATOM 0 H ALA A 79 -0.055 -1.353 5.622 1.00 0.00 H new ATOM 0 HA ALA A 79 -2.383 -0.002 4.902 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -3.282 -2.272 4.540 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.630 -2.112 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.907 -2.957 5.439 1.00 0.00 H new ATOM 295 N LYS A 80 -2.450 -1.477 7.826 1.00 0.00 N ATOM 296 CA LYS A 80 -3.111 -1.537 9.112 1.00 0.00 C ATOM 297 C LYS A 80 -3.194 -0.126 9.715 1.00 0.00 C ATOM 298 O LYS A 80 -4.194 0.244 10.335 1.00 0.00 O ATOM 299 CB LYS A 80 -2.337 -2.539 10.030 1.00 0.00 C ATOM 300 CG LYS A 80 -2.879 -2.762 11.460 1.00 0.00 C ATOM 301 CD LYS A 80 -2.519 -1.623 12.421 1.00 0.00 C ATOM 302 CE LYS A 80 -3.079 -1.861 13.816 1.00 0.00 C ATOM 303 NZ LYS A 80 -2.525 -3.094 14.441 1.00 0.00 N ATOM 0 H LYS A 80 -1.575 -2.001 7.788 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.133 -1.900 9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.311 -3.505 9.526 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.306 -2.193 10.111 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.963 -2.867 11.420 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.482 -3.699 11.851 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.435 -1.524 12.477 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.906 -0.682 12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.853 -1.002 14.448 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.165 -1.940 13.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -2.784 -3.119 15.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -2.915 -3.931 13.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.489 -3.094 14.350 1.00 0.00 H new ATOM 317 N ALA A 81 -2.152 0.651 9.505 1.00 0.00 N ATOM 318 CA ALA A 81 -2.083 2.004 10.027 1.00 0.00 C ATOM 319 C ALA A 81 -3.019 2.972 9.279 1.00 0.00 C ATOM 320 O ALA A 81 -3.590 3.876 9.896 1.00 0.00 O ATOM 321 CB ALA A 81 -0.649 2.511 10.015 1.00 0.00 C ATOM 0 H ALA A 81 -1.331 0.366 8.970 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.431 1.968 11.059 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.619 3.526 10.410 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.029 1.862 10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.271 2.508 8.993 1.00 0.00 H new ATOM 327 N ILE A 82 -3.151 2.801 7.964 1.00 0.00 N ATOM 328 CA ILE A 82 -4.052 3.644 7.146 1.00 0.00 C ATOM 329 C ILE A 82 -5.519 3.255 7.357 1.00 0.00 C ATOM 330 O ILE A 82 -6.392 4.110 7.440 1.00 0.00 O ATOM 331 CB ILE A 82 -3.681 3.655 5.596 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.492 4.593 5.283 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.872 4.032 4.710 1.00 0.00 C ATOM 334 CD1 ILE A 82 -1.164 4.186 5.856 1.00 0.00 C ATOM 0 H ILE A 82 -2.650 2.089 7.433 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.907 4.665 7.499 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.389 2.631 5.364 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -2.390 4.669 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.734 5.590 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.564 4.024 3.664 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.677 3.312 4.857 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -5.223 5.029 4.977 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.406 4.916 5.572 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.235 4.140 6.943 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.886 3.206 5.469 1.00 0.00 H new ATOM 346 N MET A 83 -5.773 1.967 7.477 1.00 0.00 N ATOM 347 CA MET A 83 -7.128 1.461 7.698 1.00 0.00 C ATOM 348 C MET A 83 -7.686 1.906 9.065 1.00 0.00 C ATOM 349 O MET A 83 -8.908 2.006 9.254 1.00 0.00 O ATOM 350 CB MET A 83 -7.152 -0.071 7.522 1.00 0.00 C ATOM 351 CG MET A 83 -8.441 -0.758 7.918 1.00 0.00 C ATOM 352 SD MET A 83 -8.435 -2.536 7.580 1.00 0.00 S ATOM 353 CE MET A 83 -7.019 -3.080 8.538 1.00 0.00 C ATOM 0 H MET A 83 -5.058 1.241 7.426 1.00 0.00 H new ATOM 0 HA MET A 83 -7.790 1.894 6.948 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.946 -0.301 6.477 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.339 -0.498 8.109 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.619 -0.598 8.981 1.00 0.00 H new ATOM 0 HG3 MET A 83 -9.271 -0.296 7.383 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.056 -4.163 8.660 1.00 0.00 H new ATOM 0 HE2 MET A 83 -6.101 -2.805 8.019 1.00 0.00 H new ATOM 0 HE3 MET A 83 -7.038 -2.604 9.518 1.00 0.00 H new ATOM 363 N ALA A 84 -6.793 2.175 9.997 1.00 0.00 N ATOM 364 CA ALA A 84 -7.184 2.665 11.307 1.00 0.00 C ATOM 365 C ALA A 84 -7.304 4.192 11.295 1.00 0.00 C ATOM 366 O ALA A 84 -8.207 4.754 11.896 1.00 0.00 O ATOM 367 CB ALA A 84 -6.179 2.219 12.361 1.00 0.00 C ATOM 0 H ALA A 84 -5.787 2.062 9.872 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.158 2.245 11.557 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -6.485 2.594 13.338 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -6.138 1.130 12.387 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -5.193 2.613 12.114 1.00 0.00 H new ATOM 373 N ASP A 85 -6.393 4.835 10.589 1.00 0.00 N ATOM 374 CA ASP A 85 -6.342 6.294 10.483 1.00 0.00 C ATOM 375 C ASP A 85 -5.775 6.716 9.138 1.00 0.00 C ATOM 376 O ASP A 85 -4.640 6.348 8.795 1.00 0.00 O ATOM 377 CB ASP A 85 -5.508 6.915 11.614 1.00 0.00 C ATOM 378 CG ASP A 85 -5.050 8.322 11.265 1.00 0.00 C ATOM 379 OD1 ASP A 85 -5.823 9.251 11.364 1.00 0.00 O ATOM 380 OD2 ASP A 85 -3.873 8.469 10.829 1.00 0.00 O ATOM 0 H ASP A 85 -5.657 4.361 10.065 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.365 6.660 10.572 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.098 6.941 12.530 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.639 6.288 11.812 1.00 0.00 H new ATOM 385 N PRO A 86 -6.529 7.496 8.369 1.00 0.00 N ATOM 386 CA PRO A 86 -6.111 7.942 7.056 1.00 0.00 C ATOM 387 C PRO A 86 -5.363 9.292 7.060 1.00 0.00 C ATOM 388 O PRO A 86 -5.138 9.861 6.014 1.00 0.00 O ATOM 389 CB PRO A 86 -7.446 8.081 6.329 1.00 0.00 C ATOM 390 CG PRO A 86 -8.400 8.541 7.385 1.00 0.00 C ATOM 391 CD PRO A 86 -7.890 7.989 8.699 1.00 0.00 C ATOM 0 HA PRO A 86 -5.399 7.252 6.602 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -7.381 8.800 5.512 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -7.762 7.133 5.894 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.449 9.629 7.415 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.408 8.182 7.179 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.861 8.757 9.472 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.527 7.187 9.071 1.00 0.00 H new ATOM 399 N SER A 87 -4.960 9.782 8.217 1.00 0.00 N ATOM 400 CA SER A 87 -4.267 11.064 8.279 1.00 0.00 C ATOM 401 C SER A 87 -2.855 10.980 7.659 1.00 0.00 C ATOM 402 O SER A 87 -2.358 11.937 7.086 1.00 0.00 O ATOM 403 CB SER A 87 -4.211 11.563 9.722 1.00 0.00 C ATOM 404 OG SER A 87 -5.517 11.621 10.279 1.00 0.00 O ATOM 0 H SER A 87 -5.096 9.323 9.118 1.00 0.00 H new ATOM 0 HA SER A 87 -4.831 11.783 7.686 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.584 10.900 10.318 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.751 12.551 9.754 1.00 0.00 H new ATOM 0 HG SER A 87 -5.821 10.715 10.496 1.00 0.00 H new ATOM 410 N LYS A 88 -2.210 9.827 7.786 1.00 0.00 N ATOM 411 CA LYS A 88 -0.864 9.652 7.194 1.00 0.00 C ATOM 412 C LYS A 88 -0.952 9.156 5.738 1.00 0.00 C ATOM 413 O LYS A 88 0.057 9.081 5.039 1.00 0.00 O ATOM 414 CB LYS A 88 0.057 8.699 8.020 1.00 0.00 C ATOM 415 CG LYS A 88 -0.235 7.190 7.884 1.00 0.00 C ATOM 416 CD LYS A 88 -1.482 6.734 8.619 1.00 0.00 C ATOM 417 CE LYS A 88 -1.267 6.685 10.120 1.00 0.00 C ATOM 418 NZ LYS A 88 -2.491 6.283 10.819 1.00 0.00 N ATOM 0 H LYS A 88 -2.574 9.011 8.278 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.407 10.641 7.214 1.00 0.00 H new ATOM 0 HB2 LYS A 88 1.090 8.877 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.023 8.971 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.338 6.944 6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 88 0.621 6.629 8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -2.305 7.411 8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.774 5.746 8.261 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -0.466 5.984 10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -0.947 7.664 10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.262 6.029 11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -3.169 7.072 10.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.912 5.462 10.338 1.00 0.00 H new ATOM 432 N ALA A 89 -2.169 8.834 5.316 1.00 0.00 N ATOM 433 CA ALA A 89 -2.453 8.118 4.062 1.00 0.00 C ATOM 434 C ALA A 89 -1.736 8.652 2.823 1.00 0.00 C ATOM 435 O ALA A 89 -0.974 7.909 2.194 1.00 0.00 O ATOM 436 CB ALA A 89 -3.944 8.063 3.821 1.00 0.00 C ATOM 0 H ALA A 89 -3.011 9.066 5.843 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.047 7.117 4.210 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.143 7.531 2.891 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.427 7.542 4.647 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.339 9.077 3.751 1.00 0.00 H new ATOM 442 N ASP A 90 -1.975 9.910 2.493 1.00 0.00 N ATOM 443 CA ASP A 90 -1.462 10.560 1.264 1.00 0.00 C ATOM 444 C ASP A 90 0.017 10.313 1.005 1.00 0.00 C ATOM 445 O ASP A 90 0.395 9.883 -0.093 1.00 0.00 O ATOM 446 CB ASP A 90 -1.741 12.062 1.288 1.00 0.00 C ATOM 447 CG ASP A 90 -3.217 12.363 1.358 1.00 0.00 C ATOM 448 OD1 ASP A 90 -3.789 12.204 2.453 1.00 0.00 O ATOM 449 OD2 ASP A 90 -3.808 12.722 0.317 1.00 0.00 O ATOM 0 H ASP A 90 -2.539 10.533 3.071 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.003 10.094 0.440 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -1.239 12.510 2.145 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.319 12.523 0.395 1.00 0.00 H new ATOM 454 N ASP A 91 0.852 10.529 2.008 1.00 0.00 N ATOM 455 CA ASP A 91 2.303 10.359 1.825 1.00 0.00 C ATOM 456 C ASP A 91 2.685 8.897 1.680 1.00 0.00 C ATOM 457 O ASP A 91 3.549 8.538 0.869 1.00 0.00 O ATOM 458 CB ASP A 91 3.121 11.004 2.938 1.00 0.00 C ATOM 459 CG ASP A 91 4.608 10.760 2.731 1.00 0.00 C ATOM 460 OD1 ASP A 91 5.162 11.291 1.744 1.00 0.00 O ATOM 461 OD2 ASP A 91 5.209 10.029 3.537 1.00 0.00 O ATOM 0 H ASP A 91 0.568 10.817 2.944 1.00 0.00 H new ATOM 0 HA ASP A 91 2.544 10.878 0.897 1.00 0.00 H new ATOM 0 HB2 ASP A 91 2.925 12.076 2.964 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.813 10.600 3.902 1.00 0.00 H new ATOM 466 N VAL A 92 1.984 8.039 2.394 1.00 0.00 N ATOM 467 CA VAL A 92 2.269 6.623 2.341 1.00 0.00 C ATOM 468 C VAL A 92 1.925 6.085 0.948 1.00 0.00 C ATOM 469 O VAL A 92 2.618 5.209 0.412 1.00 0.00 O ATOM 470 CB VAL A 92 1.528 5.839 3.461 1.00 0.00 C ATOM 471 CG1 VAL A 92 1.851 4.357 3.400 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.919 6.391 4.824 1.00 0.00 C ATOM 0 H VAL A 92 1.217 8.298 3.014 1.00 0.00 H new ATOM 0 HA VAL A 92 3.334 6.475 2.521 1.00 0.00 H new ATOM 0 HB VAL A 92 0.456 5.963 3.308 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.318 3.835 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.543 3.957 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.924 4.213 3.527 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.396 5.838 5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.995 6.287 4.964 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.646 7.445 4.882 1.00 0.00 H new ATOM 482 N TYR A 93 0.892 6.660 0.343 1.00 0.00 N ATOM 483 CA TYR A 93 0.516 6.317 -1.021 1.00 0.00 C ATOM 484 C TYR A 93 1.599 6.803 -1.970 1.00 0.00 C ATOM 485 O TYR A 93 2.002 6.095 -2.895 1.00 0.00 O ATOM 486 CB TYR A 93 -0.808 6.971 -1.430 1.00 0.00 C ATOM 487 CG TYR A 93 -2.012 6.655 -0.569 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.081 5.502 0.207 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.086 7.525 -0.539 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.186 5.234 0.981 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.191 7.263 0.227 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.238 6.119 0.985 1.00 0.00 C ATOM 493 OH TYR A 93 -5.347 5.858 1.741 1.00 0.00 O ATOM 0 H TYR A 93 0.299 7.367 0.778 1.00 0.00 H new ATOM 0 HA TYR A 93 0.398 5.235 -1.071 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.667 8.052 -1.436 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.033 6.673 -2.454 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.254 4.807 0.201 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.053 8.428 -1.131 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.227 4.336 1.580 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.022 7.953 0.235 1.00 0.00 H new ATOM 0 HH TYR A 93 -5.996 6.584 1.631 1.00 0.00 H new ATOM 503 N GLN A 94 2.078 8.010 -1.703 1.00 0.00 N ATOM 504 CA GLN A 94 3.122 8.650 -2.485 1.00 0.00 C ATOM 505 C GLN A 94 4.389 7.786 -2.510 1.00 0.00 C ATOM 506 O GLN A 94 4.953 7.531 -3.577 1.00 0.00 O ATOM 507 CB GLN A 94 3.373 10.092 -1.936 1.00 0.00 C ATOM 508 CG GLN A 94 4.494 10.895 -2.612 1.00 0.00 C ATOM 509 CD GLN A 94 5.902 10.544 -2.126 1.00 0.00 C ATOM 510 OE1 GLN A 94 6.050 10.253 -0.851 1.00 0.00 O flip ATOM 511 NE2 GLN A 94 6.855 10.603 -2.891 1.00 0.00 N flip ATOM 0 H GLN A 94 1.746 8.579 -0.925 1.00 0.00 H new ATOM 0 HA GLN A 94 2.803 8.747 -3.523 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.446 10.658 -2.026 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.600 10.018 -0.872 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.443 10.732 -3.689 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.318 11.957 -2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.707 10.831 -3.874 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.798 10.424 -2.546 1.00 0.00 H new ATOM 520 N LYS A 95 4.790 7.275 -1.358 1.00 0.00 N ATOM 521 CA LYS A 95 5.989 6.456 -1.285 1.00 0.00 C ATOM 522 C LYS A 95 5.793 5.093 -1.967 1.00 0.00 C ATOM 523 O LYS A 95 6.762 4.390 -2.237 1.00 0.00 O ATOM 524 CB LYS A 95 6.543 6.342 0.159 1.00 0.00 C ATOM 525 CG LYS A 95 5.741 5.496 1.140 1.00 0.00 C ATOM 526 CD LYS A 95 6.159 4.020 1.120 1.00 0.00 C ATOM 527 CE LYS A 95 5.361 3.238 2.142 1.00 0.00 C ATOM 528 NZ LYS A 95 5.891 1.877 2.368 1.00 0.00 N ATOM 0 H LYS A 95 4.309 7.410 -0.469 1.00 0.00 H new ATOM 0 HA LYS A 95 6.763 6.972 -1.853 1.00 0.00 H new ATOM 0 HB2 LYS A 95 7.552 5.933 0.104 1.00 0.00 H new ATOM 0 HB3 LYS A 95 6.629 7.348 0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 95 5.869 5.893 2.147 1.00 0.00 H new ATOM 0 HG3 LYS A 95 4.681 5.573 0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 95 5.999 3.602 0.126 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.224 3.933 1.335 1.00 0.00 H new ATOM 0 HE2 LYS A 95 5.358 3.782 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 95 4.325 3.168 1.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.750 1.610 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 5.390 1.203 1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 6.907 1.859 2.145 1.00 0.00 H new ATOM 542 N TRP A 96 4.539 4.706 -2.186 1.00 0.00 N ATOM 543 CA TRP A 96 4.229 3.479 -2.935 1.00 0.00 C ATOM 544 C TRP A 96 4.299 3.722 -4.435 1.00 0.00 C ATOM 545 O TRP A 96 4.593 2.805 -5.204 1.00 0.00 O ATOM 546 CB TRP A 96 2.879 2.844 -2.545 1.00 0.00 C ATOM 547 CG TRP A 96 2.891 2.108 -1.230 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.890 1.311 -0.752 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.831 2.043 -0.260 1.00 0.00 C ATOM 550 NE1 TRP A 96 3.540 0.789 0.470 1.00 0.00 N ATOM 551 CE2 TRP A 96 2.276 1.222 0.792 1.00 0.00 C ATOM 552 CE3 TRP A 96 0.557 2.611 -0.173 1.00 0.00 C ATOM 553 CZ2 TRP A 96 1.488 0.958 1.914 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -0.221 2.343 0.936 1.00 0.00 C ATOM 555 CH2 TRP A 96 0.248 1.526 1.966 1.00 0.00 C ATOM 0 H TRP A 96 3.720 5.218 -1.859 1.00 0.00 H new ATOM 0 HA TRP A 96 4.997 2.757 -2.657 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.122 3.628 -2.501 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.577 2.152 -3.331 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.823 1.118 -1.261 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.123 0.180 1.044 1.00 0.00 H new ATOM 0 HE3 TRP A 96 0.187 3.250 -0.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.847 0.326 2.713 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -1.209 2.773 1.008 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.384 1.339 2.822 1.00 0.00 H new ATOM 566 N ALA A 97 4.052 4.957 -4.850 1.00 0.00 N ATOM 567 CA ALA A 97 4.194 5.328 -6.255 1.00 0.00 C ATOM 568 C ALA A 97 5.665 5.206 -6.633 1.00 0.00 C ATOM 569 O ALA A 97 6.007 4.699 -7.692 1.00 0.00 O ATOM 570 CB ALA A 97 3.680 6.744 -6.498 1.00 0.00 C ATOM 0 H ALA A 97 3.754 5.717 -4.239 1.00 0.00 H new ATOM 0 HA ALA A 97 3.598 4.661 -6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.796 6.997 -7.552 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.626 6.800 -6.225 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.250 7.447 -5.891 1.00 0.00 H new ATOM 576 N ASP A 98 6.512 5.624 -5.695 1.00 0.00 N ATOM 577 CA ASP A 98 7.990 5.499 -5.771 1.00 0.00 C ATOM 578 C ASP A 98 8.417 4.034 -5.969 1.00 0.00 C ATOM 579 O ASP A 98 9.361 3.731 -6.680 1.00 0.00 O ATOM 580 CB ASP A 98 8.591 6.058 -4.465 1.00 0.00 C ATOM 581 CG ASP A 98 10.047 5.680 -4.218 1.00 0.00 C ATOM 582 OD1 ASP A 98 10.934 6.378 -4.680 1.00 0.00 O ATOM 583 OD2 ASP A 98 10.277 4.681 -3.477 1.00 0.00 O ATOM 0 H ASP A 98 6.195 6.072 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 98 8.356 6.063 -6.629 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.510 7.145 -4.480 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.991 5.706 -3.626 1.00 0.00 H new ATOM 588 N LYS A 99 7.644 3.128 -5.390 1.00 0.00 N ATOM 589 CA LYS A 99 7.944 1.697 -5.444 1.00 0.00 C ATOM 590 C LYS A 99 7.458 1.088 -6.753 1.00 0.00 C ATOM 591 O LYS A 99 7.652 -0.124 -7.015 1.00 0.00 O ATOM 592 CB LYS A 99 7.277 0.985 -4.277 1.00 0.00 C ATOM 593 CG LYS A 99 7.651 1.541 -2.928 1.00 0.00 C ATOM 594 CD LYS A 99 9.131 1.346 -2.632 1.00 0.00 C ATOM 595 CE LYS A 99 9.533 2.050 -1.356 1.00 0.00 C ATOM 596 NZ LYS A 99 9.309 3.502 -1.459 1.00 0.00 N ATOM 0 H LYS A 99 6.796 3.357 -4.872 1.00 0.00 H new ATOM 0 HA LYS A 99 9.025 1.573 -5.382 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.195 1.046 -4.397 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.542 -0.072 -4.310 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.409 2.603 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.057 1.052 -2.155 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.350 0.282 -2.547 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.724 1.728 -3.463 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.960 1.649 -0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.584 1.855 -1.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 9.671 3.971 -0.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 9.807 3.872 -2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 8.290 3.690 -1.552 1.00 0.00 H new ATOM 610 N GLY A 100 6.808 1.909 -7.545 1.00 0.00 N ATOM 611 CA GLY A 100 6.314 1.493 -8.823 1.00 0.00 C ATOM 612 C GLY A 100 4.999 0.781 -8.710 1.00 0.00 C ATOM 613 O GLY A 100 4.759 -0.207 -9.411 1.00 0.00 O ATOM 0 H GLY A 100 6.610 2.883 -7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.201 2.363 -9.469 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.043 0.836 -9.298 1.00 0.00 H new ATOM 617 N TYR A 101 4.166 1.221 -7.785 1.00 0.00 N ATOM 618 CA TYR A 101 2.856 0.620 -7.638 1.00 0.00 C ATOM 619 C TYR A 101 1.789 1.526 -8.204 1.00 0.00 C ATOM 620 O TYR A 101 1.611 2.658 -7.748 1.00 0.00 O ATOM 621 CB TYR A 101 2.549 0.272 -6.176 1.00 0.00 C ATOM 622 CG TYR A 101 3.601 -0.596 -5.529 1.00 0.00 C ATOM 623 CD1 TYR A 101 4.310 -1.528 -6.272 1.00 0.00 C ATOM 624 CD2 TYR A 101 3.895 -0.475 -4.184 1.00 0.00 C ATOM 625 CE1 TYR A 101 5.276 -2.299 -5.703 1.00 0.00 C ATOM 626 CE2 TYR A 101 4.863 -1.257 -3.600 1.00 0.00 C ATOM 627 CZ TYR A 101 5.555 -2.168 -4.369 1.00 0.00 C ATOM 628 OH TYR A 101 6.535 -2.946 -3.802 1.00 0.00 O ATOM 0 H TYR A 101 4.369 1.980 -7.135 1.00 0.00 H new ATOM 0 HA TYR A 101 2.859 -0.313 -8.202 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.449 1.195 -5.605 1.00 0.00 H new ATOM 0 HB3 TYR A 101 1.587 -0.239 -6.127 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.091 -1.644 -7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.357 0.244 -3.584 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.822 -3.013 -6.302 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.080 -1.158 -2.547 1.00 0.00 H new ATOM 0 HH TYR A 101 7.218 -3.153 -4.474 1.00 0.00 H new ATOM 638 N THR A 102 1.120 1.049 -9.218 1.00 0.00 N ATOM 639 CA THR A 102 0.058 1.766 -9.839 1.00 0.00 C ATOM 640 C THR A 102 -1.301 1.106 -9.527 1.00 0.00 C ATOM 641 O THR A 102 -1.734 0.179 -10.219 1.00 0.00 O ATOM 642 CB THR A 102 0.278 1.874 -11.362 1.00 0.00 C ATOM 643 OG1 THR A 102 1.601 2.372 -11.597 1.00 0.00 O ATOM 644 CG2 THR A 102 -0.730 2.836 -11.990 1.00 0.00 C ATOM 0 H THR A 102 1.306 0.138 -9.637 1.00 0.00 H new ATOM 0 HA THR A 102 0.049 2.776 -9.430 1.00 0.00 H new ATOM 0 HB THR A 102 0.147 0.889 -11.810 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.757 2.445 -12.562 1.00 0.00 H new ATOM 0 HG21 THR A 102 -0.555 2.896 -13.064 1.00 0.00 H new ATOM 0 HG22 THR A 102 -1.742 2.474 -11.807 1.00 0.00 H new ATOM 0 HG23 THR A 102 -0.613 3.825 -11.548 1.00 0.00 H new ATOM 652 N LEU A 103 -1.902 1.546 -8.422 1.00 0.00 N ATOM 653 CA LEU A 103 -3.250 1.161 -7.960 1.00 0.00 C ATOM 654 C LEU A 103 -3.477 -0.357 -7.748 1.00 0.00 C ATOM 655 O LEU A 103 -3.406 -0.865 -6.633 1.00 0.00 O ATOM 656 CB LEU A 103 -4.327 1.741 -8.903 1.00 0.00 C ATOM 657 CG LEU A 103 -5.790 1.449 -8.540 1.00 0.00 C ATOM 658 CD1 LEU A 103 -6.143 2.059 -7.196 1.00 0.00 C ATOM 659 CD2 LEU A 103 -6.723 1.961 -9.626 1.00 0.00 C ATOM 0 H LEU A 103 -1.450 2.209 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.338 1.596 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.196 2.822 -8.945 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.142 1.358 -9.907 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.914 0.369 -8.464 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -7.184 1.840 -6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.499 1.637 -6.425 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -6.000 3.139 -7.238 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.755 1.745 -9.351 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.595 3.038 -9.738 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.488 1.468 -10.569 1.00 0.00 H new ATOM 671 N THR A 104 -3.681 -1.059 -8.840 1.00 0.00 N ATOM 672 CA THR A 104 -4.128 -2.438 -8.860 1.00 0.00 C ATOM 673 C THR A 104 -3.122 -3.416 -8.205 1.00 0.00 C ATOM 674 O THR A 104 -3.511 -4.462 -7.694 1.00 0.00 O ATOM 675 CB THR A 104 -4.445 -2.858 -10.320 1.00 0.00 C ATOM 676 OG1 THR A 104 -4.963 -4.206 -10.383 1.00 0.00 O ATOM 677 CG2 THR A 104 -3.200 -2.706 -11.200 1.00 0.00 C ATOM 0 H THR A 104 -3.536 -0.674 -9.773 1.00 0.00 H new ATOM 0 HA THR A 104 -5.033 -2.497 -8.255 1.00 0.00 H new ATOM 0 HB THR A 104 -5.221 -2.194 -10.701 1.00 0.00 H new ATOM 0 HG1 THR A 104 -5.154 -4.440 -11.315 1.00 0.00 H new ATOM 0 HG21 THR A 104 -3.438 -3.004 -12.221 1.00 0.00 H new ATOM 0 HG22 THR A 104 -2.874 -1.666 -11.192 1.00 0.00 H new ATOM 0 HG23 THR A 104 -2.402 -3.340 -10.813 1.00 0.00 H new ATOM 685 N GLN A 105 -1.867 -3.043 -8.183 1.00 0.00 N ATOM 686 CA GLN A 105 -0.787 -3.851 -7.600 1.00 0.00 C ATOM 687 C GLN A 105 -0.966 -4.063 -6.104 1.00 0.00 C ATOM 688 O GLN A 105 -0.453 -5.030 -5.542 1.00 0.00 O ATOM 689 CB GLN A 105 0.542 -3.213 -7.934 1.00 0.00 C ATOM 690 CG GLN A 105 0.932 -3.362 -9.393 1.00 0.00 C ATOM 691 CD GLN A 105 2.056 -2.442 -9.778 1.00 0.00 C ATOM 692 OE1 GLN A 105 1.818 -1.336 -10.206 1.00 0.00 O ATOM 693 NE2 GLN A 105 3.274 -2.872 -9.617 1.00 0.00 N ATOM 0 H GLN A 105 -1.546 -2.157 -8.572 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.819 -4.849 -8.038 1.00 0.00 H new ATOM 0 HB2 GLN A 105 0.501 -2.153 -7.683 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.317 -3.659 -7.311 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.228 -4.394 -9.585 1.00 0.00 H new ATOM 0 HG3 GLN A 105 0.065 -3.157 -10.022 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.440 -3.811 -9.254 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.063 -2.270 -9.854 1.00 0.00 H new ATOM 702 N LEU A 106 -1.743 -3.192 -5.476 1.00 0.00 N ATOM 703 CA LEU A 106 -2.019 -3.284 -4.051 1.00 0.00 C ATOM 704 C LEU A 106 -2.800 -4.585 -3.730 1.00 0.00 C ATOM 705 O LEU A 106 -2.802 -5.062 -2.586 1.00 0.00 O ATOM 706 CB LEU A 106 -2.825 -2.066 -3.601 1.00 0.00 C ATOM 707 CG LEU A 106 -2.917 -1.849 -2.098 1.00 0.00 C ATOM 708 CD1 LEU A 106 -1.574 -1.410 -1.535 1.00 0.00 C ATOM 709 CD2 LEU A 106 -3.995 -0.852 -1.759 1.00 0.00 C ATOM 0 H LEU A 106 -2.198 -2.405 -5.939 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.072 -3.308 -3.512 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.384 -1.176 -4.051 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.836 -2.156 -3.998 1.00 0.00 H new ATOM 0 HG LEU A 106 -3.185 -2.799 -1.636 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -1.662 -1.260 -0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.827 -2.178 -1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.269 -0.476 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.038 -0.716 -0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -3.771 0.102 -2.236 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -4.956 -1.220 -2.117 1.00 0.00 H new ATOM 721 N SER A 107 -3.411 -5.172 -4.768 1.00 0.00 N ATOM 722 CA SER A 107 -4.203 -6.390 -4.632 1.00 0.00 C ATOM 723 C SER A 107 -3.335 -7.565 -4.163 1.00 0.00 C ATOM 724 O SER A 107 -3.802 -8.419 -3.429 1.00 0.00 O ATOM 725 CB SER A 107 -4.863 -6.754 -5.967 1.00 0.00 C ATOM 726 OG SER A 107 -5.540 -5.631 -6.538 1.00 0.00 O ATOM 0 H SER A 107 -3.367 -4.812 -5.722 1.00 0.00 H new ATOM 0 HA SER A 107 -4.973 -6.199 -3.884 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.106 -7.116 -6.662 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.571 -7.569 -5.814 1.00 0.00 H new ATOM 0 HG SER A 107 -5.006 -5.267 -7.274 1.00 0.00 H new ATOM 732 N ASP A 108 -2.073 -7.590 -4.576 1.00 0.00 N ATOM 733 CA ASP A 108 -1.188 -8.691 -4.190 1.00 0.00 C ATOM 734 C ASP A 108 -0.682 -8.492 -2.788 1.00 0.00 C ATOM 735 O ASP A 108 -0.614 -9.439 -1.990 1.00 0.00 O ATOM 736 CB ASP A 108 0.002 -8.849 -5.148 1.00 0.00 C ATOM 737 CG ASP A 108 0.946 -9.960 -4.692 1.00 0.00 C ATOM 738 OD1 ASP A 108 0.516 -11.136 -4.665 1.00 0.00 O ATOM 739 OD2 ASP A 108 2.114 -9.671 -4.330 1.00 0.00 O ATOM 0 H ASP A 108 -1.643 -6.878 -5.166 1.00 0.00 H new ATOM 0 HA ASP A 108 -1.781 -9.604 -4.243 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.364 -9.070 -6.151 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.549 -7.908 -5.209 1.00 0.00 H new ATOM 744 N PHE A 109 -0.382 -7.253 -2.479 1.00 0.00 N ATOM 745 CA PHE A 109 0.176 -6.892 -1.178 1.00 0.00 C ATOM 746 C PHE A 109 -0.833 -7.110 -0.071 1.00 0.00 C ATOM 747 O PHE A 109 -0.530 -7.692 0.975 1.00 0.00 O ATOM 748 CB PHE A 109 0.640 -5.439 -1.188 1.00 0.00 C ATOM 749 CG PHE A 109 1.579 -5.136 -2.308 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.567 -6.030 -2.640 1.00 0.00 C ATOM 751 CD2 PHE A 109 1.450 -3.988 -3.050 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.418 -5.794 -3.677 1.00 0.00 C ATOM 753 CE2 PHE A 109 2.295 -3.742 -4.100 1.00 0.00 C ATOM 754 CZ PHE A 109 3.286 -4.649 -4.413 1.00 0.00 C ATOM 0 H PHE A 109 -0.513 -6.464 -3.112 1.00 0.00 H new ATOM 0 HA PHE A 109 1.033 -7.538 -0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.229 -4.786 -1.263 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.128 -5.212 -0.240 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.671 -6.939 -2.067 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.677 -3.274 -2.804 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.193 -6.507 -3.917 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.185 -2.839 -4.682 1.00 0.00 H new ATOM 0 HZ PHE A 109 3.956 -4.455 -5.237 1.00 0.00 H new ATOM 764 N LEU A 110 -2.028 -6.657 -0.295 1.00 0.00 N ATOM 765 CA LEU A 110 -3.077 -6.809 0.674 1.00 0.00 C ATOM 766 C LEU A 110 -3.699 -8.185 0.589 1.00 0.00 C ATOM 767 O LEU A 110 -4.056 -8.759 1.600 1.00 0.00 O ATOM 768 CB LEU A 110 -4.115 -5.689 0.536 1.00 0.00 C ATOM 769 CG LEU A 110 -3.796 -4.349 1.256 1.00 0.00 C ATOM 770 CD1 LEU A 110 -2.391 -3.863 0.982 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.781 -3.290 0.829 1.00 0.00 C ATOM 0 H LEU A 110 -2.306 -6.173 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.643 -6.720 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.252 -5.481 -0.525 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.068 -6.060 0.914 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.878 -4.536 2.327 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -2.222 -2.924 1.509 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.674 -4.608 1.328 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.263 -3.706 -0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.552 -2.354 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.713 -3.144 -0.249 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.791 -3.606 1.090 1.00 0.00 H new ATOM 783 N LYS A 111 -3.735 -8.718 -0.615 1.00 0.00 N ATOM 784 CA LYS A 111 -4.301 -10.041 -0.946 1.00 0.00 C ATOM 785 C LYS A 111 -5.825 -9.934 -0.906 1.00 0.00 C ATOM 786 O LYS A 111 -6.545 -10.888 -0.652 1.00 0.00 O ATOM 787 CB LYS A 111 -3.772 -11.168 -0.008 1.00 0.00 C ATOM 788 CG LYS A 111 -3.882 -12.596 -0.574 1.00 0.00 C ATOM 789 CD LYS A 111 -2.633 -13.025 -1.382 1.00 0.00 C ATOM 790 CE LYS A 111 -2.316 -12.125 -2.578 1.00 0.00 C ATOM 791 NZ LYS A 111 -1.083 -12.569 -3.269 1.00 0.00 N ATOM 0 H LYS A 111 -3.360 -8.235 -1.432 1.00 0.00 H new ATOM 0 HA LYS A 111 -3.978 -10.327 -1.947 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -2.726 -10.965 0.223 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.321 -11.124 0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.034 -13.296 0.248 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.762 -12.660 -1.214 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.771 -13.040 -0.715 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -2.778 -14.045 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.152 -12.136 -3.277 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.197 -11.095 -2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.559 -11.739 -3.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -0.487 -13.105 -2.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.336 -13.175 -4.075 1.00 0.00 H new ATOM 905 N TYR A 118 -9.086 -5.588 4.074 1.00 0.00 N ATOM 906 CA TYR A 118 -8.341 -4.351 3.875 1.00 0.00 C ATOM 907 C TYR A 118 -9.214 -3.295 3.158 1.00 0.00 C ATOM 908 O TYR A 118 -8.698 -2.402 2.495 1.00 0.00 O ATOM 909 CB TYR A 118 -7.088 -4.646 3.069 1.00 0.00 C ATOM 910 CG TYR A 118 -6.111 -5.582 3.752 1.00 0.00 C ATOM 911 CD1 TYR A 118 -5.175 -5.098 4.662 1.00 0.00 C ATOM 912 CD2 TYR A 118 -6.119 -6.943 3.488 1.00 0.00 C ATOM 913 CE1 TYR A 118 -4.278 -5.946 5.281 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.226 -7.791 4.103 1.00 0.00 C ATOM 915 CZ TYR A 118 -4.308 -7.291 4.993 1.00 0.00 C ATOM 916 OH TYR A 118 -3.396 -8.149 5.587 1.00 0.00 O ATOM 0 HA TYR A 118 -8.057 -3.944 4.845 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.380 -5.080 2.112 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.581 -3.706 2.852 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.150 -4.042 4.887 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.837 -7.344 2.789 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.558 -5.556 5.986 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.247 -8.849 3.886 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.688 -9.076 5.459 1.00 0.00 H new ATOM 926 N ASP A 119 -10.523 -3.424 3.344 1.00 0.00 N ATOM 927 CA ASP A 119 -11.583 -2.579 2.760 1.00 0.00 C ATOM 928 C ASP A 119 -11.218 -1.080 2.649 1.00 0.00 C ATOM 929 O ASP A 119 -11.100 -0.537 1.533 1.00 0.00 O ATOM 930 CB ASP A 119 -12.909 -2.773 3.574 1.00 0.00 C ATOM 931 CG ASP A 119 -12.723 -2.790 5.116 1.00 0.00 C ATOM 932 OD1 ASP A 119 -12.408 -1.734 5.723 1.00 0.00 O ATOM 933 OD2 ASP A 119 -12.882 -3.880 5.740 1.00 0.00 O ATOM 0 H ASP A 119 -10.905 -4.160 3.938 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.715 -2.912 1.731 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.601 -1.972 3.313 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -13.375 -3.709 3.267 1.00 0.00 H new ATOM 938 N ARG A 120 -11.006 -0.445 3.774 1.00 0.00 N ATOM 939 CA ARG A 120 -10.671 0.975 3.841 1.00 0.00 C ATOM 940 C ARG A 120 -9.338 1.326 3.221 1.00 0.00 C ATOM 941 O ARG A 120 -9.234 2.322 2.521 1.00 0.00 O ATOM 942 CB ARG A 120 -10.728 1.453 5.276 1.00 0.00 C ATOM 943 CG ARG A 120 -12.140 1.705 5.771 1.00 0.00 C ATOM 944 CD ARG A 120 -12.228 1.525 7.262 1.00 0.00 C ATOM 945 NE ARG A 120 -12.091 0.109 7.594 1.00 0.00 N ATOM 946 CZ ARG A 120 -11.749 -0.403 8.757 1.00 0.00 C ATOM 947 NH1 ARG A 120 -11.319 0.381 9.752 1.00 0.00 N ATOM 948 NH2 ARG A 120 -11.764 -1.720 8.895 1.00 0.00 N ATOM 0 H ARG A 120 -11.059 -0.896 4.687 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.420 1.492 3.241 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -10.253 0.711 5.918 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -10.149 2.372 5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -12.448 2.716 5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -12.830 1.021 5.277 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -11.445 2.102 7.755 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -13.182 1.904 7.628 1.00 0.00 H new ATOM 0 HE ARG A 120 -12.281 -0.555 6.843 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -11.253 1.390 9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -11.057 -0.030 10.648 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.036 -2.312 8.110 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.503 -2.142 9.786 1.00 0.00 H new ATOM 962 N VAL A 121 -8.335 0.514 3.442 1.00 0.00 N ATOM 963 CA VAL A 121 -7.010 0.848 2.954 1.00 0.00 C ATOM 964 C VAL A 121 -6.883 0.633 1.438 1.00 0.00 C ATOM 965 O VAL A 121 -6.256 1.432 0.748 1.00 0.00 O ATOM 966 CB VAL A 121 -5.865 0.121 3.739 1.00 0.00 C ATOM 967 CG1 VAL A 121 -6.014 -1.373 3.708 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.498 0.536 3.218 1.00 0.00 C ATOM 0 H VAL A 121 -8.402 -0.370 3.947 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.882 1.914 3.145 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.948 0.432 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.197 -1.832 4.265 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.965 -1.653 4.161 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.988 -1.720 2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.722 0.017 3.780 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.417 0.277 2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.374 1.612 3.338 1.00 0.00 H new ATOM 978 N TYR A 122 -7.532 -0.401 0.925 1.00 0.00 N ATOM 979 CA TYR A 122 -7.446 -0.722 -0.488 1.00 0.00 C ATOM 980 C TYR A 122 -8.086 0.378 -1.331 1.00 0.00 C ATOM 981 O TYR A 122 -7.434 0.992 -2.176 1.00 0.00 O ATOM 982 CB TYR A 122 -8.097 -2.083 -0.780 1.00 0.00 C ATOM 983 CG TYR A 122 -7.934 -2.535 -2.212 1.00 0.00 C ATOM 984 CD1 TYR A 122 -6.739 -3.083 -2.643 1.00 0.00 C ATOM 985 CD2 TYR A 122 -8.961 -2.398 -3.132 1.00 0.00 C ATOM 986 CE1 TYR A 122 -6.568 -3.485 -3.942 1.00 0.00 C ATOM 987 CE2 TYR A 122 -8.800 -2.798 -4.440 1.00 0.00 C ATOM 988 CZ TYR A 122 -7.594 -3.343 -4.840 1.00 0.00 C ATOM 989 OH TYR A 122 -7.405 -3.758 -6.148 1.00 0.00 O ATOM 0 H TYR A 122 -8.123 -1.031 1.467 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.392 -0.787 -0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.663 -2.833 -0.119 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.160 -2.026 -0.544 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.925 -3.196 -1.942 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -9.902 -1.971 -2.819 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -5.628 -3.912 -4.257 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -9.609 -2.687 -5.147 1.00 0.00 H new ATOM 0 HH TYR A 122 -6.807 -4.534 -6.162 1.00 0.00 H new ATOM 999 N ASN A 123 -9.346 0.641 -1.072 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.072 1.678 -1.802 1.00 0.00 C ATOM 1001 C ASN A 123 -9.618 3.070 -1.407 1.00 0.00 C ATOM 1002 O ASN A 123 -9.760 4.011 -2.171 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.587 1.537 -1.641 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.140 0.296 -2.319 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -11.618 -0.173 -3.323 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -13.192 -0.243 -1.777 1.00 0.00 N ATOM 0 H ASN A 123 -9.897 0.157 -0.364 1.00 0.00 H new ATOM 0 HA ASN A 123 -9.836 1.537 -2.857 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -11.833 1.505 -0.580 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -12.075 2.419 -2.055 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -13.605 -1.080 -2.188 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -13.604 0.171 -0.941 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.055 3.196 -0.215 1.00 0.00 N ATOM 1014 CA GLY A 124 -8.549 4.469 0.228 1.00 0.00 C ATOM 1015 C GLY A 124 -7.313 4.857 -0.543 1.00 0.00 C ATOM 1016 O GLY A 124 -7.080 6.039 -0.807 1.00 0.00 O ATOM 0 H GLY A 124 -8.941 2.433 0.453 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.316 5.233 0.101 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.318 4.422 1.292 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.523 3.853 -0.905 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.308 4.025 -1.690 1.00 0.00 C ATOM 1022 C TYR A 125 -5.630 4.561 -3.072 1.00 0.00 C ATOM 1023 O TYR A 125 -4.863 5.336 -3.625 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.563 2.684 -1.772 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.344 2.629 -2.688 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.201 3.361 -2.421 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -3.344 1.812 -3.811 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.095 3.284 -3.247 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -2.246 1.726 -4.630 1.00 0.00 C ATOM 1030 CZ TYR A 125 -1.127 2.460 -4.347 1.00 0.00 C ATOM 1031 OH TYR A 125 -0.036 2.372 -5.175 1.00 0.00 O ATOM 0 H TYR A 125 -6.712 2.882 -0.657 1.00 0.00 H new ATOM 0 HA TYR A 125 -4.664 4.756 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.245 2.410 -0.766 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -5.270 1.922 -2.101 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.172 4.003 -1.553 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.225 1.233 -4.044 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.212 3.867 -3.030 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -2.265 1.080 -5.496 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.103 3.052 -5.877 1.00 0.00 H new ATOM 1041 N MET A 126 -6.796 4.179 -3.587 1.00 0.00 N ATOM 1042 CA MET A 126 -7.282 4.588 -4.913 1.00 0.00 C ATOM 1043 C MET A 126 -7.172 6.103 -5.135 1.00 0.00 C ATOM 1044 O MET A 126 -6.737 6.540 -6.203 1.00 0.00 O ATOM 1045 CB MET A 126 -8.733 4.049 -5.151 1.00 0.00 C ATOM 1046 CG MET A 126 -9.414 4.491 -6.459 1.00 0.00 C ATOM 1047 SD MET A 126 -10.075 6.173 -6.397 1.00 0.00 S ATOM 1048 CE MET A 126 -10.612 6.415 -8.088 1.00 0.00 C ATOM 0 H MET A 126 -7.444 3.567 -3.091 1.00 0.00 H new ATOM 0 HA MET A 126 -6.632 4.136 -5.663 1.00 0.00 H new ATOM 0 HB2 MET A 126 -8.702 2.960 -5.132 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.358 4.365 -4.315 1.00 0.00 H new ATOM 0 HG2 MET A 126 -8.695 4.422 -7.275 1.00 0.00 H new ATOM 0 HG3 MET A 126 -10.224 3.799 -6.689 1.00 0.00 H new ATOM 0 HE1 MET A 126 -11.041 7.411 -8.195 1.00 0.00 H new ATOM 0 HE2 MET A 126 -9.759 6.314 -8.759 1.00 0.00 H new ATOM 0 HE3 MET A 126 -11.364 5.668 -8.342 1.00 0.00 H new ATOM 1058 N THR A 127 -7.463 6.864 -4.089 1.00 0.00 N ATOM 1059 CA THR A 127 -7.468 8.332 -4.092 1.00 0.00 C ATOM 1060 C THR A 127 -6.115 8.950 -4.571 1.00 0.00 C ATOM 1061 O THR A 127 -6.063 10.097 -5.003 1.00 0.00 O ATOM 1062 CB THR A 127 -7.740 8.814 -2.655 1.00 0.00 C ATOM 1063 OG1 THR A 127 -8.720 7.943 -2.052 1.00 0.00 O ATOM 1064 CG2 THR A 127 -8.275 10.243 -2.646 1.00 0.00 C ATOM 0 H THR A 127 -7.711 6.470 -3.182 1.00 0.00 H new ATOM 0 HA THR A 127 -8.239 8.656 -4.791 1.00 0.00 H new ATOM 0 HB THR A 127 -6.804 8.792 -2.096 1.00 0.00 H new ATOM 0 HG1 THR A 127 -8.265 7.264 -1.511 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.458 10.557 -1.618 1.00 0.00 H new ATOM 0 HG22 THR A 127 -7.543 10.908 -3.104 1.00 0.00 H new ATOM 0 HG23 THR A 127 -9.207 10.286 -3.210 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.024 8.179 -4.521 1.00 0.00 N ATOM 1073 CA TYR A 128 -3.730 8.730 -4.896 1.00 0.00 C ATOM 1074 C TYR A 128 -3.632 8.884 -6.425 1.00 0.00 C ATOM 1075 O TYR A 128 -2.742 9.572 -6.932 1.00 0.00 O ATOM 1076 CB TYR A 128 -2.559 7.872 -4.361 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.047 6.825 -5.329 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -2.816 5.735 -5.681 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -0.793 6.959 -5.911 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -2.370 4.816 -6.580 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.332 6.035 -6.810 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.126 4.969 -7.143 1.00 0.00 C ATOM 1083 OH TYR A 128 -0.689 4.063 -8.052 1.00 0.00 O ATOM 0 H TYR A 128 -5.014 7.201 -4.233 1.00 0.00 H new ATOM 0 HA TYR A 128 -3.649 9.715 -4.436 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -1.735 8.533 -4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.879 7.375 -3.445 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -3.791 5.609 -5.234 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.173 7.804 -5.651 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -2.989 3.973 -6.849 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.647 6.145 -7.252 1.00 0.00 H new ATOM 0 HH TYR A 128 0.195 3.734 -7.787 1.00 0.00 H new ATOM 1093 N ARG A 129 -4.565 8.245 -7.152 1.00 0.00 N ATOM 1094 CA ARG A 129 -4.564 8.280 -8.613 1.00 0.00 C ATOM 1095 C ARG A 129 -4.801 9.682 -9.149 1.00 0.00 C ATOM 1096 O ARG A 129 -4.473 9.972 -10.295 1.00 0.00 O ATOM 1097 CB ARG A 129 -5.590 7.305 -9.241 1.00 0.00 C ATOM 1098 CG ARG A 129 -5.241 5.798 -9.194 1.00 0.00 C ATOM 1099 CD ARG A 129 -3.853 5.492 -9.793 1.00 0.00 C ATOM 1100 NE ARG A 129 -3.544 6.352 -10.947 1.00 0.00 N ATOM 1101 CZ ARG A 129 -2.464 7.158 -10.976 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -1.439 6.914 -10.177 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -2.399 8.163 -11.839 1.00 0.00 N ATOM 0 H ARG A 129 -5.326 7.700 -6.746 1.00 0.00 H new ATOM 0 HA ARG A 129 -3.567 7.953 -8.907 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.546 7.448 -8.738 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.733 7.588 -10.284 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.270 5.454 -8.160 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.000 5.236 -9.739 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -3.090 5.628 -9.026 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -3.814 4.447 -10.100 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.169 6.337 -11.753 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -1.467 6.117 -9.541 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.621 7.522 -10.197 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -3.169 8.330 -12.486 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -1.579 8.769 -11.855 1.00 0.00 H new ATOM 1117 N ASP A 130 -5.361 10.525 -8.321 1.00 0.00 N ATOM 1118 CA ASP A 130 -5.651 11.898 -8.688 1.00 0.00 C ATOM 1119 C ASP A 130 -4.510 12.831 -8.303 1.00 0.00 C ATOM 1120 O ASP A 130 -4.606 14.046 -8.483 1.00 0.00 O ATOM 1121 CB ASP A 130 -6.961 12.365 -8.034 1.00 0.00 C ATOM 1122 CG ASP A 130 -8.180 11.613 -8.540 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -8.371 10.438 -8.132 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -8.950 12.192 -9.338 1.00 0.00 O ATOM 0 H ASP A 130 -5.632 10.283 -7.368 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.763 11.933 -9.772 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -6.886 12.239 -6.954 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -7.095 13.430 -8.222 1.00 0.00 H new ATOM 1129 N TYR A 131 -3.421 12.284 -7.761 1.00 0.00 N ATOM 1130 CA TYR A 131 -2.299 13.143 -7.401 1.00 0.00 C ATOM 1131 C TYR A 131 -1.133 12.962 -8.364 1.00 0.00 C ATOM 1132 O TYR A 131 -0.485 13.938 -8.737 1.00 0.00 O ATOM 1133 CB TYR A 131 -1.780 12.852 -5.981 1.00 0.00 C ATOM 1134 CG TYR A 131 -2.784 12.976 -4.852 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -3.591 14.100 -4.710 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -2.909 11.961 -3.918 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -4.492 14.201 -3.664 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -3.800 12.053 -2.872 1.00 0.00 C ATOM 1139 CZ TYR A 131 -4.589 13.172 -2.747 1.00 0.00 C ATOM 1140 OH TYR A 131 -5.472 13.269 -1.700 1.00 0.00 O ATOM 0 H TYR A 131 -3.295 11.290 -7.569 1.00 0.00 H new ATOM 0 HA TYR A 131 -2.678 14.164 -7.450 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -1.375 11.840 -5.967 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -0.951 13.530 -5.776 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -3.514 14.905 -5.426 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -2.294 11.078 -4.012 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -5.115 15.078 -3.565 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -3.879 11.250 -2.154 1.00 0.00 H new ATOM 0 HH TYR A 131 -4.979 13.248 -0.853 1.00 0.00 H new ATOM 1150 N VAL A 132 -0.892 11.723 -8.783 1.00 0.00 N ATOM 1151 CA VAL A 132 0.216 11.374 -9.686 1.00 0.00 C ATOM 1152 C VAL A 132 -0.184 10.106 -10.423 1.00 0.00 C ATOM 1153 O VAL A 132 -0.741 10.184 -11.526 1.00 0.00 O ATOM 1154 CB VAL A 132 1.585 11.075 -8.934 1.00 0.00 C ATOM 1155 CG1 VAL A 132 2.697 10.762 -9.933 1.00 0.00 C ATOM 1156 CG2 VAL A 132 2.030 12.215 -8.018 1.00 0.00 C ATOM 1157 OXT VAL A 132 0.002 9.013 -9.858 1.00 0.00 O ATOM 0 H VAL A 132 -1.461 10.922 -8.507 1.00 0.00 H new ATOM 0 HA VAL A 132 0.385 12.229 -10.341 1.00 0.00 H new ATOM 0 HB VAL A 132 1.396 10.206 -8.304 1.00 0.00 H new ATOM 0 HG11 VAL A 132 3.623 10.561 -9.395 1.00 0.00 H new ATOM 0 HG12 VAL A 132 2.422 9.887 -10.521 1.00 0.00 H new ATOM 0 HG13 VAL A 132 2.841 11.615 -10.597 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.970 11.948 -7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 132 2.169 13.122 -8.607 1.00 0.00 H new ATOM 0 HG23 VAL A 132 1.268 12.389 -7.258 1.00 0.00 H new