USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=20 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 -96:sc= 1.28 USER MOD Set 1.2: A 128 TYR OH : rot 180:sc= 0.0605 USER MOD Set 2.1: A 107 SER OG : rot 61:sc= 1.73 USER MOD Set 2.2: A 122 TYR OH : rot 21:sc= 0.935 USER MOD Set 3.1: A 76 LYS NZ :NH3+ -151:sc= 2.44 (180deg=-0.433) USER MOD Set 3.2: A 118 TYR OH : rot 166:sc= 1 USER MOD Set 4.1: A 102 THR OG1 : rot -92:sc= 0.552 USER MOD Set 4.2: A 105 GLN : amide:sc= 0.183 K(o=0.73,f=-0.52) USER MOD Set 5.1: A 94 GLN : amide:sc= -2.76! C(o=-1.4!,f=-9.4!) USER MOD Set 5.2: A 95 LYS NZ :NH3+ -148:sc= 1.37 (180deg=0.724) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 145:sc= 1.39 (180deg=0.6) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -143:sc= 0.608 (180deg=-0.827) USER MOD Single : A 83 MET CE :methyl -147:sc= -0.212 (180deg=-1.18) USER MOD Single : A 87 SER OG : rot 98:sc= 1.26 USER MOD Single : A 88 LYS NZ :NH3+ -146:sc= -1.48! (180deg=-5.36!) USER MOD Single : A 93 TYR OH : rot -150:sc= 0.00302 USER MOD Single : A 99 LYS NZ :NH3+ -112:sc= 0.893 (180deg=-2.7) USER MOD Single : A 101 TYR OH : rot -143:sc= 1.28 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ 172:sc= -0.502 (180deg=-0.953!) USER MOD Single : A 123 ASN : amide:sc= -0.42 X(o=-0.42,f=0) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 98:sc= 1.24 USER MOD Single : A 131 TYR OH : rot 85:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 8.144 -7.209 -0.922 1.00 0.00 N ATOM 152 CA GLU A 71 7.423 -6.097 -0.204 1.00 0.00 C ATOM 153 C GLU A 71 6.092 -6.496 0.493 1.00 0.00 C ATOM 154 O GLU A 71 5.834 -6.074 1.602 1.00 0.00 O ATOM 155 CB GLU A 71 7.208 -4.894 -1.158 1.00 0.00 C ATOM 156 CG GLU A 71 6.405 -3.730 -0.582 1.00 0.00 C ATOM 157 CD GLU A 71 7.075 -3.053 0.599 1.00 0.00 C ATOM 158 OE1 GLU A 71 7.876 -2.130 0.371 1.00 0.00 O ATOM 159 OE2 GLU A 71 6.787 -3.431 1.746 1.00 0.00 O ATOM 0 HA GLU A 71 8.083 -5.818 0.618 1.00 0.00 H new ATOM 0 HB2 GLU A 71 8.184 -4.520 -1.468 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.703 -5.251 -2.056 1.00 0.00 H new ATOM 0 HG2 GLU A 71 6.238 -2.992 -1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 71 5.425 -4.094 -0.273 1.00 0.00 H new ATOM 166 N LYS A 72 5.316 -7.346 -0.143 1.00 0.00 N ATOM 167 CA LYS A 72 3.947 -7.734 0.266 1.00 0.00 C ATOM 168 C LYS A 72 3.734 -7.990 1.767 1.00 0.00 C ATOM 169 O LYS A 72 2.654 -7.752 2.287 1.00 0.00 O ATOM 170 CB LYS A 72 3.520 -8.943 -0.523 1.00 0.00 C ATOM 171 CG LYS A 72 4.416 -10.141 -0.385 1.00 0.00 C ATOM 172 CD LYS A 72 4.206 -10.998 -1.582 1.00 0.00 C ATOM 173 CE LYS A 72 4.998 -12.270 -1.555 1.00 0.00 C ATOM 174 NZ LYS A 72 5.065 -12.846 -2.915 1.00 0.00 N ATOM 0 H LYS A 72 5.617 -7.816 -0.997 1.00 0.00 H new ATOM 0 HA LYS A 72 3.328 -6.863 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.513 -9.223 -0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.464 -8.669 -1.577 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.459 -9.833 -0.312 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.182 -10.692 0.526 1.00 0.00 H new ATOM 0 HD2 LYS A 72 3.147 -11.241 -1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.473 -10.432 -2.475 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.004 -12.075 -1.182 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.537 -12.982 -0.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 5.615 -13.728 -2.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.103 -13.047 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.524 -12.169 -3.557 1.00 0.00 H new ATOM 188 N ALA A 73 4.733 -8.486 2.430 1.00 0.00 N ATOM 189 CA ALA A 73 4.637 -8.740 3.857 1.00 0.00 C ATOM 190 C ALA A 73 4.802 -7.455 4.701 1.00 0.00 C ATOM 191 O ALA A 73 4.092 -7.264 5.687 1.00 0.00 O ATOM 192 CB ALA A 73 5.646 -9.788 4.271 1.00 0.00 C ATOM 0 H ALA A 73 5.633 -8.728 2.015 1.00 0.00 H new ATOM 0 HA ALA A 73 3.632 -9.115 4.052 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.564 -9.969 5.343 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.451 -10.714 3.730 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.651 -9.437 4.039 1.00 0.00 H new ATOM 198 N ALA A 74 5.678 -6.563 4.274 1.00 0.00 N ATOM 199 CA ALA A 74 6.008 -5.366 5.046 1.00 0.00 C ATOM 200 C ALA A 74 5.010 -4.248 4.784 1.00 0.00 C ATOM 201 O ALA A 74 4.601 -3.525 5.712 1.00 0.00 O ATOM 202 CB ALA A 74 7.426 -4.907 4.734 1.00 0.00 C ATOM 0 H ALA A 74 6.180 -6.642 3.390 1.00 0.00 H new ATOM 0 HA ALA A 74 5.950 -5.620 6.104 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.656 -4.015 5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.129 -5.699 4.990 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.509 -4.678 3.672 1.00 0.00 H new ATOM 208 N VAL A 75 4.604 -4.119 3.533 1.00 0.00 N ATOM 209 CA VAL A 75 3.620 -3.127 3.109 1.00 0.00 C ATOM 210 C VAL A 75 2.292 -3.290 3.868 1.00 0.00 C ATOM 211 O VAL A 75 1.562 -2.320 4.079 1.00 0.00 O ATOM 212 CB VAL A 75 3.395 -3.193 1.575 1.00 0.00 C ATOM 213 CG1 VAL A 75 2.764 -4.485 1.146 1.00 0.00 C ATOM 214 CG2 VAL A 75 2.628 -1.994 1.046 1.00 0.00 C ATOM 0 H VAL A 75 4.949 -4.704 2.772 1.00 0.00 H new ATOM 0 HA VAL A 75 4.018 -2.142 3.353 1.00 0.00 H new ATOM 0 HB VAL A 75 4.387 -3.156 1.125 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.628 -4.482 0.065 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.410 -5.317 1.428 1.00 0.00 H new ATOM 0 HG13 VAL A 75 1.796 -4.596 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.499 -2.091 -0.032 1.00 0.00 H new ATOM 0 HG22 VAL A 75 1.650 -1.947 1.526 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.183 -1.082 1.264 1.00 0.00 H new ATOM 224 N LYS A 76 2.011 -4.511 4.325 1.00 0.00 N ATOM 225 CA LYS A 76 0.815 -4.777 5.126 1.00 0.00 C ATOM 226 C LYS A 76 0.852 -3.993 6.431 1.00 0.00 C ATOM 227 O LYS A 76 -0.174 -3.534 6.922 1.00 0.00 O ATOM 228 CB LYS A 76 0.652 -6.247 5.444 1.00 0.00 C ATOM 229 CG LYS A 76 0.354 -7.128 4.258 1.00 0.00 C ATOM 230 CD LYS A 76 0.157 -8.558 4.712 1.00 0.00 C ATOM 231 CE LYS A 76 -0.221 -9.480 3.565 1.00 0.00 C ATOM 232 NZ LYS A 76 -1.446 -9.015 2.872 1.00 0.00 N ATOM 0 H LYS A 76 2.594 -5.330 4.155 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.035 -4.458 4.523 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.565 -6.603 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.152 -6.359 6.171 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.541 -6.773 3.747 1.00 0.00 H new ATOM 0 HG3 LYS A 76 1.173 -7.075 3.540 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.074 -8.919 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.622 -8.591 5.474 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.603 -9.533 2.853 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.378 -10.489 3.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.948 -9.832 2.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.066 -8.529 3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.185 -8.358 2.109 1.00 0.00 H new ATOM 246 N LYS A 77 2.047 -3.808 6.964 1.00 0.00 N ATOM 247 CA LYS A 77 2.240 -3.054 8.183 1.00 0.00 C ATOM 248 C LYS A 77 1.959 -1.559 7.950 1.00 0.00 C ATOM 249 O LYS A 77 1.643 -0.799 8.890 1.00 0.00 O ATOM 250 CB LYS A 77 3.651 -3.334 8.788 1.00 0.00 C ATOM 251 CG LYS A 77 4.112 -2.338 9.848 1.00 0.00 C ATOM 252 CD LYS A 77 5.017 -1.267 9.235 1.00 0.00 C ATOM 253 CE LYS A 77 5.040 -0.005 10.075 1.00 0.00 C ATOM 254 NZ LYS A 77 3.768 0.757 9.931 1.00 0.00 N ATOM 0 H LYS A 77 2.908 -4.177 6.562 1.00 0.00 H new ATOM 0 HA LYS A 77 1.517 -3.387 8.928 1.00 0.00 H new ATOM 0 HB2 LYS A 77 3.649 -4.332 9.226 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.381 -3.343 7.978 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.245 -1.866 10.310 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.648 -2.864 10.638 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.030 -1.658 9.138 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.670 -1.029 8.230 1.00 0.00 H new ATOM 0 HE2 LYS A 77 5.196 -0.264 11.122 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.879 0.622 9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 3.529 1.209 10.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.882 1.487 9.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.004 0.108 9.656 1.00 0.00 H new ATOM 268 N MET A 78 2.091 -1.134 6.718 1.00 0.00 N ATOM 269 CA MET A 78 1.763 0.229 6.357 1.00 0.00 C ATOM 270 C MET A 78 0.271 0.316 6.094 1.00 0.00 C ATOM 271 O MET A 78 -0.392 1.263 6.510 1.00 0.00 O ATOM 272 CB MET A 78 2.553 0.701 5.133 1.00 0.00 C ATOM 273 CG MET A 78 4.061 0.649 5.303 1.00 0.00 C ATOM 274 SD MET A 78 4.635 1.512 6.791 1.00 0.00 S ATOM 275 CE MET A 78 6.414 1.372 6.562 1.00 0.00 C ATOM 0 H MET A 78 2.423 -1.711 5.945 1.00 0.00 H new ATOM 0 HA MET A 78 2.038 0.886 7.182 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.274 0.087 4.277 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.261 1.725 4.899 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.381 -0.392 5.347 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.536 1.091 4.427 1.00 0.00 H new ATOM 0 HE1 MET A 78 6.927 1.854 7.394 1.00 0.00 H new ATOM 0 HE2 MET A 78 6.694 0.319 6.524 1.00 0.00 H new ATOM 0 HE3 MET A 78 6.700 1.858 5.629 1.00 0.00 H new ATOM 285 N ALA A 79 -0.244 -0.719 5.445 1.00 0.00 N ATOM 286 CA ALA A 79 -1.660 -0.853 5.118 1.00 0.00 C ATOM 287 C ALA A 79 -2.518 -0.803 6.380 1.00 0.00 C ATOM 288 O ALA A 79 -3.573 -0.163 6.413 1.00 0.00 O ATOM 289 CB ALA A 79 -1.891 -2.168 4.375 1.00 0.00 C ATOM 0 H ALA A 79 0.321 -1.506 5.124 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.951 -0.019 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.949 -2.267 4.131 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.305 -2.175 3.456 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.585 -3.002 5.007 1.00 0.00 H new ATOM 295 N LYS A 80 -2.036 -1.456 7.421 1.00 0.00 N ATOM 296 CA LYS A 80 -2.707 -1.504 8.709 1.00 0.00 C ATOM 297 C LYS A 80 -2.836 -0.093 9.331 1.00 0.00 C ATOM 298 O LYS A 80 -3.765 0.172 10.132 1.00 0.00 O ATOM 299 CB LYS A 80 -1.960 -2.510 9.648 1.00 0.00 C ATOM 300 CG LYS A 80 -2.561 -2.693 11.049 1.00 0.00 C ATOM 301 CD LYS A 80 -2.104 -1.609 12.026 1.00 0.00 C ATOM 302 CE LYS A 80 -3.068 -1.475 13.188 1.00 0.00 C ATOM 303 NZ LYS A 80 -4.422 -1.062 12.711 1.00 0.00 N ATOM 0 H LYS A 80 -1.158 -1.974 7.397 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.726 -1.864 8.572 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.931 -3.482 9.157 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.928 -2.177 9.757 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.649 -2.680 10.979 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.278 -3.671 11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.110 -1.850 12.401 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.025 -0.655 11.504 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.139 -2.424 13.719 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -2.688 -0.740 13.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -4.847 -0.407 13.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.336 -0.588 11.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.027 -1.902 12.613 1.00 0.00 H new ATOM 317 N ALA A 81 -1.936 0.793 8.964 1.00 0.00 N ATOM 318 CA ALA A 81 -1.931 2.140 9.489 1.00 0.00 C ATOM 319 C ALA A 81 -2.914 3.010 8.724 1.00 0.00 C ATOM 320 O ALA A 81 -3.631 3.798 9.318 1.00 0.00 O ATOM 321 CB ALA A 81 -0.531 2.723 9.452 1.00 0.00 C ATOM 0 H ALA A 81 -1.190 0.601 8.296 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.250 2.111 10.531 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.549 3.737 9.851 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.136 2.107 10.055 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -0.173 2.744 8.423 1.00 0.00 H new ATOM 327 N ILE A 82 -2.974 2.809 7.413 1.00 0.00 N ATOM 328 CA ILE A 82 -3.907 3.547 6.535 1.00 0.00 C ATOM 329 C ILE A 82 -5.341 3.149 6.897 1.00 0.00 C ATOM 330 O ILE A 82 -6.284 3.930 6.802 1.00 0.00 O ATOM 331 CB ILE A 82 -3.646 3.196 5.037 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.171 3.429 4.662 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.571 3.981 4.105 1.00 0.00 C ATOM 334 CD1 ILE A 82 -1.691 4.847 4.857 1.00 0.00 C ATOM 0 H ILE A 82 -2.386 2.137 6.920 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.757 4.617 6.676 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.868 2.136 4.909 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.548 2.763 5.259 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -2.026 3.150 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.360 3.710 3.070 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.609 3.743 4.338 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.404 5.049 4.242 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.642 4.919 4.568 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.285 5.520 4.239 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.799 5.127 5.905 1.00 0.00 H new ATOM 346 N MET A 83 -5.476 1.910 7.321 1.00 0.00 N ATOM 347 CA MET A 83 -6.740 1.376 7.769 1.00 0.00 C ATOM 348 C MET A 83 -7.149 2.003 9.109 1.00 0.00 C ATOM 349 O MET A 83 -8.332 2.077 9.439 1.00 0.00 O ATOM 350 CB MET A 83 -6.637 -0.136 7.913 1.00 0.00 C ATOM 351 CG MET A 83 -7.904 -0.800 8.409 1.00 0.00 C ATOM 352 SD MET A 83 -7.675 -2.553 8.795 1.00 0.00 S ATOM 353 CE MET A 83 -7.010 -3.167 7.247 1.00 0.00 C ATOM 0 H MET A 83 -4.706 1.243 7.364 1.00 0.00 H new ATOM 0 HA MET A 83 -7.503 1.618 7.029 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.370 -0.564 6.947 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.824 -0.370 8.601 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.256 -0.280 9.300 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.682 -0.698 7.652 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.346 -4.192 7.088 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.358 -2.539 6.427 1.00 0.00 H new ATOM 0 HE3 MET A 83 -5.921 -3.144 7.284 1.00 0.00 H new ATOM 363 N ALA A 84 -6.183 2.449 9.869 1.00 0.00 N ATOM 364 CA ALA A 84 -6.467 3.055 11.145 1.00 0.00 C ATOM 365 C ALA A 84 -6.888 4.491 10.926 1.00 0.00 C ATOM 366 O ALA A 84 -7.974 4.900 11.356 1.00 0.00 O ATOM 367 CB ALA A 84 -5.257 2.971 12.071 1.00 0.00 C ATOM 0 H ALA A 84 -5.193 2.404 9.627 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.280 2.514 11.629 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.498 3.435 13.027 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.994 1.926 12.231 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.414 3.492 11.617 1.00 0.00 H new ATOM 373 N ASP A 85 -6.072 5.205 10.191 1.00 0.00 N ATOM 374 CA ASP A 85 -6.308 6.607 9.898 1.00 0.00 C ATOM 375 C ASP A 85 -6.093 6.897 8.425 1.00 0.00 C ATOM 376 O ASP A 85 -5.009 6.634 7.878 1.00 0.00 O ATOM 377 CB ASP A 85 -5.413 7.536 10.726 1.00 0.00 C ATOM 378 CG ASP A 85 -5.537 8.974 10.252 1.00 0.00 C ATOM 379 OD1 ASP A 85 -6.564 9.616 10.523 1.00 0.00 O ATOM 380 OD2 ASP A 85 -4.635 9.450 9.522 1.00 0.00 O ATOM 0 H ASP A 85 -5.219 4.833 9.774 1.00 0.00 H new ATOM 0 HA ASP A 85 -7.346 6.804 10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -5.690 7.471 11.778 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -4.375 7.212 10.648 1.00 0.00 H new ATOM 385 N PRO A 86 -7.115 7.427 7.751 1.00 0.00 N ATOM 386 CA PRO A 86 -7.023 7.787 6.358 1.00 0.00 C ATOM 387 C PRO A 86 -6.652 9.273 6.149 1.00 0.00 C ATOM 388 O PRO A 86 -6.653 9.757 5.027 1.00 0.00 O ATOM 389 CB PRO A 86 -8.445 7.523 5.872 1.00 0.00 C ATOM 390 CG PRO A 86 -9.313 7.886 7.040 1.00 0.00 C ATOM 391 CD PRO A 86 -8.473 7.681 8.286 1.00 0.00 C ATOM 0 HA PRO A 86 -6.246 7.233 5.831 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.684 8.127 4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.580 6.480 5.586 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.650 8.920 6.966 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -10.206 7.261 7.068 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -8.492 8.559 8.932 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.834 6.841 8.879 1.00 0.00 H new ATOM 399 N SER A 87 -6.324 9.971 7.221 1.00 0.00 N ATOM 400 CA SER A 87 -6.015 11.387 7.143 1.00 0.00 C ATOM 401 C SER A 87 -4.545 11.574 6.757 1.00 0.00 C ATOM 402 O SER A 87 -4.199 12.417 5.942 1.00 0.00 O ATOM 403 CB SER A 87 -6.289 12.041 8.496 1.00 0.00 C ATOM 404 OG SER A 87 -7.536 11.599 9.026 1.00 0.00 O ATOM 0 H SER A 87 -6.265 9.578 8.160 1.00 0.00 H new ATOM 0 HA SER A 87 -6.641 11.856 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.486 11.798 9.192 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.299 13.125 8.386 1.00 0.00 H new ATOM 0 HG SER A 87 -7.380 10.882 9.675 1.00 0.00 H new ATOM 410 N LYS A 88 -3.686 10.769 7.353 1.00 0.00 N ATOM 411 CA LYS A 88 -2.266 10.805 7.050 1.00 0.00 C ATOM 412 C LYS A 88 -1.937 9.939 5.848 1.00 0.00 C ATOM 413 O LYS A 88 -0.792 9.848 5.425 1.00 0.00 O ATOM 414 CB LYS A 88 -1.379 10.460 8.286 1.00 0.00 C ATOM 415 CG LYS A 88 -1.573 9.073 8.955 1.00 0.00 C ATOM 416 CD LYS A 88 -1.070 7.865 8.123 1.00 0.00 C ATOM 417 CE LYS A 88 0.473 7.787 7.978 1.00 0.00 C ATOM 418 NZ LYS A 88 1.069 8.936 7.253 1.00 0.00 N ATOM 0 H LYS A 88 -3.948 10.077 8.055 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.024 11.835 6.787 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.335 10.541 7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -1.551 11.224 9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -1.056 9.074 9.914 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -2.633 8.933 9.165 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -1.426 6.946 8.587 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -1.515 7.913 7.129 1.00 0.00 H new ATOM 0 HE2 LYS A 88 0.919 7.726 8.971 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.733 6.866 7.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.890 8.611 6.703 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.361 9.346 6.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.375 9.657 7.937 1.00 0.00 H new ATOM 432 N ALA A 89 -2.926 9.243 5.372 1.00 0.00 N ATOM 433 CA ALA A 89 -2.776 8.273 4.306 1.00 0.00 C ATOM 434 C ALA A 89 -2.052 8.816 3.055 1.00 0.00 C ATOM 435 O ALA A 89 -1.214 8.112 2.477 1.00 0.00 O ATOM 436 CB ALA A 89 -4.115 7.693 3.946 1.00 0.00 C ATOM 0 H ALA A 89 -3.883 9.329 5.715 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.127 7.488 4.694 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -3.992 6.965 3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.546 7.202 4.819 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.779 8.491 3.614 1.00 0.00 H new ATOM 442 N ASP A 90 -2.339 10.058 2.676 1.00 0.00 N ATOM 443 CA ASP A 90 -1.751 10.692 1.472 1.00 0.00 C ATOM 444 C ASP A 90 -0.237 10.649 1.409 1.00 0.00 C ATOM 445 O ASP A 90 0.334 10.416 0.328 1.00 0.00 O ATOM 446 CB ASP A 90 -2.243 12.118 1.269 1.00 0.00 C ATOM 447 CG ASP A 90 -3.672 12.157 0.816 1.00 0.00 C ATOM 448 OD1 ASP A 90 -4.557 12.132 1.675 1.00 0.00 O ATOM 449 OD2 ASP A 90 -3.903 12.180 -0.413 1.00 0.00 O ATOM 0 H ASP A 90 -2.983 10.663 3.185 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.110 10.072 0.651 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.143 12.673 2.202 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.615 12.617 0.532 1.00 0.00 H new ATOM 454 N ASP A 91 0.441 10.824 2.542 1.00 0.00 N ATOM 455 CA ASP A 91 1.907 10.788 2.521 1.00 0.00 C ATOM 456 C ASP A 91 2.419 9.394 2.186 1.00 0.00 C ATOM 457 O ASP A 91 3.434 9.249 1.523 1.00 0.00 O ATOM 458 CB ASP A 91 2.594 11.361 3.796 1.00 0.00 C ATOM 459 CG ASP A 91 2.293 10.621 5.085 1.00 0.00 C ATOM 460 OD1 ASP A 91 2.702 9.448 5.246 1.00 0.00 O ATOM 461 OD2 ASP A 91 1.615 11.187 5.959 1.00 0.00 O ATOM 0 H ASP A 91 0.020 10.987 3.457 1.00 0.00 H new ATOM 0 HA ASP A 91 2.197 11.470 1.722 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.673 11.359 3.639 1.00 0.00 H new ATOM 0 HB3 ASP A 91 2.291 12.401 3.915 1.00 0.00 H new ATOM 466 N VAL A 92 1.675 8.382 2.559 1.00 0.00 N ATOM 467 CA VAL A 92 2.059 7.013 2.265 1.00 0.00 C ATOM 468 C VAL A 92 1.652 6.677 0.819 1.00 0.00 C ATOM 469 O VAL A 92 2.298 5.882 0.164 1.00 0.00 O ATOM 470 CB VAL A 92 1.408 6.007 3.258 1.00 0.00 C ATOM 471 CG1 VAL A 92 1.868 4.579 2.993 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.719 6.392 4.692 1.00 0.00 C ATOM 0 H VAL A 92 0.796 8.475 3.069 1.00 0.00 H new ATOM 0 HA VAL A 92 3.139 6.924 2.378 1.00 0.00 H new ATOM 0 HB VAL A 92 0.330 6.050 3.103 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.392 3.905 3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.590 4.290 1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.951 4.519 3.104 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.255 5.676 5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.798 6.388 4.844 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.328 7.389 4.894 1.00 0.00 H new ATOM 482 N TYR A 93 0.588 7.323 0.316 1.00 0.00 N ATOM 483 CA TYR A 93 0.182 7.150 -1.097 1.00 0.00 C ATOM 484 C TYR A 93 1.300 7.660 -1.989 1.00 0.00 C ATOM 485 O TYR A 93 1.694 7.016 -2.955 1.00 0.00 O ATOM 486 CB TYR A 93 -1.103 7.929 -1.436 1.00 0.00 C ATOM 487 CG TYR A 93 -2.358 7.530 -0.685 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.467 6.314 -0.018 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.447 8.389 -0.654 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.623 5.974 0.653 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.601 8.055 0.009 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.685 6.851 0.661 1.00 0.00 C ATOM 493 OH TYR A 93 -5.839 6.516 1.317 1.00 0.00 O ATOM 0 H TYR A 93 -0.001 7.960 0.852 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.013 6.090 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.918 8.987 -1.252 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.296 7.820 -2.503 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.634 5.626 -0.026 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.385 9.340 -1.162 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.695 5.027 1.168 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.439 8.736 0.017 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.603 6.936 0.870 1.00 0.00 H new ATOM 503 N GLN A 94 1.812 8.823 -1.616 1.00 0.00 N ATOM 504 CA GLN A 94 2.949 9.458 -2.276 1.00 0.00 C ATOM 505 C GLN A 94 4.170 8.554 -2.200 1.00 0.00 C ATOM 506 O GLN A 94 4.935 8.444 -3.146 1.00 0.00 O ATOM 507 CB GLN A 94 3.179 10.862 -1.641 1.00 0.00 C ATOM 508 CG GLN A 94 4.534 11.561 -1.898 1.00 0.00 C ATOM 509 CD GLN A 94 5.660 11.124 -0.936 1.00 0.00 C ATOM 510 OE1 GLN A 94 6.834 11.138 -1.270 1.00 0.00 O ATOM 511 NE2 GLN A 94 5.306 10.700 0.250 1.00 0.00 N ATOM 0 H GLN A 94 1.445 9.364 -0.833 1.00 0.00 H new ATOM 0 HA GLN A 94 2.749 9.607 -3.337 1.00 0.00 H new ATOM 0 HB2 GLN A 94 2.389 11.523 -1.997 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.052 10.766 -0.563 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.847 11.359 -2.922 1.00 0.00 H new ATOM 0 HG3 GLN A 94 4.397 12.639 -1.814 1.00 0.00 H new ATOM 0 HE21 GLN A 94 4.321 10.694 0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.015 10.376 0.908 1.00 0.00 H new ATOM 520 N LYS A 95 4.305 7.890 -1.079 1.00 0.00 N ATOM 521 CA LYS A 95 5.375 6.951 -0.858 1.00 0.00 C ATOM 522 C LYS A 95 5.247 5.742 -1.725 1.00 0.00 C ATOM 523 O LYS A 95 6.202 5.313 -2.338 1.00 0.00 O ATOM 524 CB LYS A 95 5.449 6.586 0.607 1.00 0.00 C ATOM 525 CG LYS A 95 6.291 7.549 1.370 1.00 0.00 C ATOM 526 CD LYS A 95 7.718 7.181 1.136 1.00 0.00 C ATOM 527 CE LYS A 95 8.657 8.384 1.093 1.00 0.00 C ATOM 528 NZ LYS A 95 8.457 9.199 -0.140 1.00 0.00 N ATOM 0 H LYS A 95 3.669 7.987 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 95 6.312 7.431 -1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 95 4.444 6.567 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 95 5.858 5.581 0.712 1.00 0.00 H new ATOM 0 HG2 LYS A 95 6.100 8.570 1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.054 7.507 2.433 1.00 0.00 H new ATOM 0 HD2 LYS A 95 8.044 6.503 1.925 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.795 6.636 0.195 1.00 0.00 H new ATOM 0 HE2 LYS A 95 8.490 9.007 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.690 8.040 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 9.362 9.626 -0.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 8.106 8.589 -0.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 7.764 9.951 0.049 1.00 0.00 H new ATOM 542 N TRP A 96 4.074 5.213 -1.801 1.00 0.00 N ATOM 543 CA TRP A 96 3.836 4.066 -2.638 1.00 0.00 C ATOM 544 C TRP A 96 4.064 4.398 -4.100 1.00 0.00 C ATOM 545 O TRP A 96 4.596 3.579 -4.852 1.00 0.00 O ATOM 546 CB TRP A 96 2.469 3.435 -2.372 1.00 0.00 C ATOM 547 CG TRP A 96 2.410 2.680 -1.065 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.467 2.127 -0.395 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.242 2.360 -0.290 1.00 0.00 C ATOM 550 NE1 TRP A 96 3.035 1.495 0.736 1.00 0.00 N ATOM 551 CE2 TRP A 96 1.675 1.618 0.827 1.00 0.00 C ATOM 552 CE3 TRP A 96 -0.119 2.625 -0.427 1.00 0.00 C ATOM 553 CZ2 TRP A 96 0.796 1.143 1.796 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -0.992 2.152 0.535 1.00 0.00 C ATOM 555 CH2 TRP A 96 -0.531 1.418 1.632 1.00 0.00 C ATOM 0 H TRP A 96 3.255 5.551 -1.295 1.00 0.00 H new ATOM 0 HA TRP A 96 4.568 3.303 -2.374 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.709 4.216 -2.368 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.224 2.756 -3.189 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.497 2.182 -0.715 1.00 0.00 H new ATOM 0 HE1 TRP A 96 3.631 1.009 1.406 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.486 3.191 -1.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.150 0.578 2.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -2.049 2.353 0.437 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -1.239 1.061 2.365 1.00 0.00 H new ATOM 566 N ALA A 97 3.744 5.615 -4.469 1.00 0.00 N ATOM 567 CA ALA A 97 3.975 6.093 -5.810 1.00 0.00 C ATOM 568 C ALA A 97 5.478 6.184 -6.111 1.00 0.00 C ATOM 569 O ALA A 97 5.921 5.780 -7.186 1.00 0.00 O ATOM 570 CB ALA A 97 3.299 7.440 -6.024 1.00 0.00 C ATOM 0 H ALA A 97 3.316 6.302 -3.848 1.00 0.00 H new ATOM 0 HA ALA A 97 3.537 5.376 -6.504 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.485 7.783 -7.042 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.225 7.337 -5.867 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.702 8.166 -5.317 1.00 0.00 H new ATOM 576 N ASP A 98 6.277 6.637 -5.131 1.00 0.00 N ATOM 577 CA ASP A 98 7.729 6.816 -5.365 1.00 0.00 C ATOM 578 C ASP A 98 8.455 5.489 -5.245 1.00 0.00 C ATOM 579 O ASP A 98 9.632 5.355 -5.599 1.00 0.00 O ATOM 580 CB ASP A 98 8.390 7.878 -4.426 1.00 0.00 C ATOM 581 CG ASP A 98 8.748 7.397 -3.016 1.00 0.00 C ATOM 582 OD1 ASP A 98 9.851 6.836 -2.802 1.00 0.00 O ATOM 583 OD2 ASP A 98 7.983 7.636 -2.098 1.00 0.00 O ATOM 0 H ASP A 98 5.959 6.881 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 98 7.825 7.200 -6.381 1.00 0.00 H new ATOM 0 HB2 ASP A 98 9.298 8.243 -4.906 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.713 8.728 -4.338 1.00 0.00 H new ATOM 588 N LYS A 99 7.776 4.509 -4.721 1.00 0.00 N ATOM 589 CA LYS A 99 8.337 3.185 -4.586 1.00 0.00 C ATOM 590 C LYS A 99 7.893 2.294 -5.725 1.00 0.00 C ATOM 591 O LYS A 99 8.324 1.159 -5.835 1.00 0.00 O ATOM 592 CB LYS A 99 7.972 2.589 -3.234 1.00 0.00 C ATOM 593 CG LYS A 99 8.478 3.389 -2.025 1.00 0.00 C ATOM 594 CD LYS A 99 9.941 3.092 -1.607 1.00 0.00 C ATOM 595 CE LYS A 99 11.002 3.278 -2.706 1.00 0.00 C ATOM 596 NZ LYS A 99 10.993 4.624 -3.341 1.00 0.00 N ATOM 0 H LYS A 99 6.821 4.599 -4.375 1.00 0.00 H new ATOM 0 HA LYS A 99 9.423 3.260 -4.635 1.00 0.00 H new ATOM 0 HB2 LYS A 99 6.887 2.505 -3.169 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.374 1.577 -3.177 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.389 4.452 -2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 99 7.825 3.186 -1.176 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.197 3.738 -0.768 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.995 2.065 -1.247 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.988 3.097 -2.278 1.00 0.00 H new ATOM 0 HE3 LYS A 99 10.846 2.524 -3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.677 4.540 -4.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.343 5.249 -2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 11.952 5.025 -3.317 1.00 0.00 H new ATOM 610 N GLY A 100 7.034 2.828 -6.568 1.00 0.00 N ATOM 611 CA GLY A 100 6.585 2.107 -7.727 1.00 0.00 C ATOM 612 C GLY A 100 5.525 1.082 -7.418 1.00 0.00 C ATOM 613 O GLY A 100 5.345 0.129 -8.168 1.00 0.00 O ATOM 0 H GLY A 100 6.635 3.761 -6.467 1.00 0.00 H new ATOM 0 HA2 GLY A 100 6.194 2.815 -8.458 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.437 1.610 -8.190 1.00 0.00 H new ATOM 617 N TYR A 101 4.827 1.250 -6.314 1.00 0.00 N ATOM 618 CA TYR A 101 3.759 0.332 -5.987 1.00 0.00 C ATOM 619 C TYR A 101 2.458 0.970 -6.405 1.00 0.00 C ATOM 620 O TYR A 101 2.072 1.989 -5.850 1.00 0.00 O ATOM 621 CB TYR A 101 3.706 0.028 -4.480 1.00 0.00 C ATOM 622 CG TYR A 101 5.022 -0.379 -3.853 1.00 0.00 C ATOM 623 CD1 TYR A 101 5.895 -1.264 -4.479 1.00 0.00 C ATOM 624 CD2 TYR A 101 5.383 0.132 -2.624 1.00 0.00 C ATOM 625 CE1 TYR A 101 7.096 -1.613 -3.888 1.00 0.00 C ATOM 626 CE2 TYR A 101 6.571 -0.212 -2.024 1.00 0.00 C ATOM 627 CZ TYR A 101 7.428 -1.081 -2.658 1.00 0.00 C ATOM 628 OH TYR A 101 8.624 -1.411 -2.068 1.00 0.00 O ATOM 0 H TYR A 101 4.977 2.000 -5.639 1.00 0.00 H new ATOM 0 HA TYR A 101 3.932 -0.609 -6.508 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.334 0.911 -3.961 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.981 -0.769 -4.313 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.631 -1.684 -5.439 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.717 0.818 -2.122 1.00 0.00 H new ATOM 0 HE1 TYR A 101 7.769 -2.296 -4.385 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.830 0.198 -1.059 1.00 0.00 H new ATOM 0 HH TYR A 101 8.499 -1.495 -1.100 1.00 0.00 H new ATOM 638 N THR A 102 1.798 0.397 -7.379 1.00 0.00 N ATOM 639 CA THR A 102 0.553 0.939 -7.865 1.00 0.00 C ATOM 640 C THR A 102 -0.636 0.118 -7.346 1.00 0.00 C ATOM 641 O THR A 102 -0.441 -0.951 -6.761 1.00 0.00 O ATOM 642 CB THR A 102 0.545 0.961 -9.405 1.00 0.00 C ATOM 643 OG1 THR A 102 0.792 -0.361 -9.895 1.00 0.00 O ATOM 644 CG2 THR A 102 1.609 1.909 -9.943 1.00 0.00 C ATOM 0 H THR A 102 2.104 -0.452 -7.855 1.00 0.00 H new ATOM 0 HA THR A 102 0.458 1.960 -7.495 1.00 0.00 H new ATOM 0 HB THR A 102 -0.430 1.312 -9.744 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.753 -0.479 -10.048 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.582 1.906 -11.033 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.415 2.918 -9.578 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.592 1.583 -9.604 1.00 0.00 H new ATOM 652 N LEU A 103 -1.855 0.607 -7.590 1.00 0.00 N ATOM 653 CA LEU A 103 -3.112 -0.046 -7.147 1.00 0.00 C ATOM 654 C LEU A 103 -3.199 -1.514 -7.607 1.00 0.00 C ATOM 655 O LEU A 103 -3.560 -2.409 -6.831 1.00 0.00 O ATOM 656 CB LEU A 103 -4.316 0.749 -7.687 1.00 0.00 C ATOM 657 CG LEU A 103 -5.715 0.278 -7.260 1.00 0.00 C ATOM 658 CD1 LEU A 103 -5.920 0.449 -5.760 1.00 0.00 C ATOM 659 CD2 LEU A 103 -6.785 1.031 -8.033 1.00 0.00 C ATOM 0 H LEU A 103 -2.010 1.474 -8.104 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.122 -0.050 -6.057 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.201 1.788 -7.379 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.271 0.732 -8.776 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.798 -0.784 -7.490 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.919 0.107 -5.488 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.176 -0.139 -5.222 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.812 1.501 -5.496 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.771 0.687 -7.720 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.694 2.099 -7.834 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.659 0.848 -9.100 1.00 0.00 H new ATOM 671 N THR A 104 -2.811 -1.758 -8.841 1.00 0.00 N ATOM 672 CA THR A 104 -2.877 -3.089 -9.416 1.00 0.00 C ATOM 673 C THR A 104 -1.851 -4.038 -8.762 1.00 0.00 C ATOM 674 O THR A 104 -2.078 -5.235 -8.666 1.00 0.00 O ATOM 675 CB THR A 104 -2.704 -3.043 -10.969 1.00 0.00 C ATOM 676 OG1 THR A 104 -2.724 -4.358 -11.532 1.00 0.00 O ATOM 677 CG2 THR A 104 -1.418 -2.323 -11.368 1.00 0.00 C ATOM 0 H THR A 104 -2.443 -1.046 -9.472 1.00 0.00 H new ATOM 0 HA THR A 104 -3.869 -3.489 -9.207 1.00 0.00 H new ATOM 0 HB THR A 104 -3.549 -2.481 -11.368 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.615 -4.299 -12.504 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.330 -2.310 -12.454 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.443 -1.300 -10.994 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.561 -2.845 -10.941 1.00 0.00 H new ATOM 685 N GLN A 105 -0.759 -3.483 -8.277 1.00 0.00 N ATOM 686 CA GLN A 105 0.281 -4.263 -7.623 1.00 0.00 C ATOM 687 C GLN A 105 -0.083 -4.447 -6.162 1.00 0.00 C ATOM 688 O GLN A 105 0.146 -5.501 -5.574 1.00 0.00 O ATOM 689 CB GLN A 105 1.605 -3.532 -7.740 1.00 0.00 C ATOM 690 CG GLN A 105 2.046 -3.294 -9.170 1.00 0.00 C ATOM 691 CD GLN A 105 3.206 -2.329 -9.270 1.00 0.00 C ATOM 692 OE1 GLN A 105 3.317 -1.594 -10.237 1.00 0.00 O ATOM 693 NE2 GLN A 105 4.068 -2.320 -8.287 1.00 0.00 N ATOM 0 H GLN A 105 -0.564 -2.483 -8.323 1.00 0.00 H new ATOM 0 HA GLN A 105 0.370 -5.240 -8.099 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.526 -2.572 -7.229 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.374 -4.106 -7.223 1.00 0.00 H new ATOM 0 HG2 GLN A 105 2.330 -4.245 -9.621 1.00 0.00 H new ATOM 0 HG3 GLN A 105 1.205 -2.906 -9.745 1.00 0.00 H new ATOM 0 HE21 GLN A 105 3.943 -2.949 -7.494 1.00 0.00 H new ATOM 0 HE22 GLN A 105 4.865 -1.684 -8.313 1.00 0.00 H new ATOM 702 N LEU A 106 -0.705 -3.415 -5.599 1.00 0.00 N ATOM 703 CA LEU A 106 -1.145 -3.401 -4.208 1.00 0.00 C ATOM 704 C LEU A 106 -2.195 -4.498 -3.995 1.00 0.00 C ATOM 705 O LEU A 106 -2.383 -5.011 -2.878 1.00 0.00 O ATOM 706 CB LEU A 106 -1.751 -2.030 -3.862 1.00 0.00 C ATOM 707 CG LEU A 106 -1.990 -1.753 -2.377 1.00 0.00 C ATOM 708 CD1 LEU A 106 -0.671 -1.543 -1.648 1.00 0.00 C ATOM 709 CD2 LEU A 106 -2.913 -0.568 -2.179 1.00 0.00 C ATOM 0 H LEU A 106 -0.920 -2.554 -6.103 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.289 -3.584 -3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -1.092 -1.255 -4.253 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.702 -1.934 -4.386 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.480 -2.628 -1.949 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.865 -1.348 -0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -0.056 -2.438 -1.744 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.146 -0.693 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -3.063 -0.397 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -2.468 0.319 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -3.874 -0.772 -2.652 1.00 0.00 H new ATOM 721 N SER A 107 -2.847 -4.867 -5.088 1.00 0.00 N ATOM 722 CA SER A 107 -3.837 -5.903 -5.094 1.00 0.00 C ATOM 723 C SER A 107 -3.251 -7.270 -4.680 1.00 0.00 C ATOM 724 O SER A 107 -3.957 -8.075 -4.085 1.00 0.00 O ATOM 725 CB SER A 107 -4.532 -5.966 -6.456 1.00 0.00 C ATOM 726 OG SER A 107 -5.186 -4.728 -6.740 1.00 0.00 O ATOM 0 H SER A 107 -2.692 -4.442 -6.002 1.00 0.00 H new ATOM 0 HA SER A 107 -4.587 -5.655 -4.343 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.801 -6.185 -7.234 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.259 -6.778 -6.463 1.00 0.00 H new ATOM 0 HG SER A 107 -4.524 -4.005 -6.760 1.00 0.00 H new ATOM 732 N ASP A 108 -1.963 -7.522 -4.963 1.00 0.00 N ATOM 733 CA ASP A 108 -1.335 -8.775 -4.498 1.00 0.00 C ATOM 734 C ASP A 108 -0.863 -8.613 -3.080 1.00 0.00 C ATOM 735 O ASP A 108 -1.140 -9.470 -2.222 1.00 0.00 O ATOM 736 CB ASP A 108 -0.152 -9.249 -5.366 1.00 0.00 C ATOM 737 CG ASP A 108 0.486 -10.533 -4.784 1.00 0.00 C ATOM 738 OD1 ASP A 108 -0.149 -11.615 -4.881 1.00 0.00 O ATOM 739 OD2 ASP A 108 1.577 -10.468 -4.180 1.00 0.00 O ATOM 0 H ASP A 108 -1.351 -6.901 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.108 -9.540 -4.575 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -0.496 -9.439 -6.383 1.00 0.00 H new ATOM 0 HB3 ASP A 108 0.599 -8.461 -5.425 1.00 0.00 H new ATOM 744 N PHE A 109 -0.203 -7.479 -2.834 1.00 0.00 N ATOM 745 CA PHE A 109 0.384 -7.136 -1.533 1.00 0.00 C ATOM 746 C PHE A 109 -0.631 -7.261 -0.415 1.00 0.00 C ATOM 747 O PHE A 109 -0.377 -7.871 0.633 1.00 0.00 O ATOM 748 CB PHE A 109 0.918 -5.696 -1.544 1.00 0.00 C ATOM 749 CG PHE A 109 2.002 -5.393 -2.550 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.877 -6.369 -2.963 1.00 0.00 C ATOM 751 CD2 PHE A 109 2.159 -4.115 -3.050 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.878 -6.095 -3.854 1.00 0.00 C ATOM 753 CE2 PHE A 109 3.157 -3.829 -3.950 1.00 0.00 C ATOM 754 CZ PHE A 109 4.022 -4.821 -4.357 1.00 0.00 C ATOM 0 H PHE A 109 -0.058 -6.761 -3.543 1.00 0.00 H new ATOM 0 HA PHE A 109 1.199 -7.838 -1.357 1.00 0.00 H new ATOM 0 HB2 PHE A 109 0.081 -5.022 -1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.300 -5.465 -0.550 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.772 -7.372 -2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.489 -3.331 -2.730 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.555 -6.877 -4.163 1.00 0.00 H new ATOM 0 HE2 PHE A 109 3.263 -2.827 -4.338 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.807 -4.601 -5.065 1.00 0.00 H new ATOM 764 N LEU A 110 -1.766 -6.683 -0.629 1.00 0.00 N ATOM 765 CA LEU A 110 -2.830 -6.750 0.323 1.00 0.00 C ATOM 766 C LEU A 110 -3.629 -8.007 0.102 1.00 0.00 C ATOM 767 O LEU A 110 -3.856 -8.772 1.040 1.00 0.00 O ATOM 768 CB LEU A 110 -3.715 -5.498 0.245 1.00 0.00 C ATOM 769 CG LEU A 110 -3.234 -4.236 1.013 1.00 0.00 C ATOM 770 CD1 LEU A 110 -1.779 -3.897 0.734 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.113 -3.057 0.650 1.00 0.00 C ATOM 0 H LEU A 110 -1.985 -6.149 -1.470 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.408 -6.782 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.829 -5.230 -0.805 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.705 -5.761 0.616 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.312 -4.455 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.498 -3.007 1.297 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.147 -4.732 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.647 -3.709 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.775 -2.172 1.189 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.052 -2.874 -0.423 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.146 -3.276 0.922 1.00 0.00 H new ATOM 783 N LYS A 111 -3.964 -8.253 -1.160 1.00 0.00 N ATOM 784 CA LYS A 111 -4.787 -9.381 -1.581 1.00 0.00 C ATOM 785 C LYS A 111 -6.172 -9.249 -0.936 1.00 0.00 C ATOM 786 O LYS A 111 -6.778 -10.203 -0.424 1.00 0.00 O ATOM 787 CB LYS A 111 -4.068 -10.727 -1.301 1.00 0.00 C ATOM 788 CG LYS A 111 -4.705 -11.938 -1.973 1.00 0.00 C ATOM 789 CD LYS A 111 -3.807 -13.189 -1.939 1.00 0.00 C ATOM 790 CE LYS A 111 -2.710 -13.189 -3.039 1.00 0.00 C ATOM 791 NZ LYS A 111 -1.673 -12.134 -2.881 1.00 0.00 N ATOM 0 H LYS A 111 -3.665 -7.661 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 111 -4.938 -9.371 -2.660 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.033 -10.647 -1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -4.046 -10.895 -0.224 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -5.651 -12.164 -1.481 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -4.936 -11.692 -3.009 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -3.331 -13.259 -0.961 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.428 -14.077 -2.056 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.220 -14.163 -3.045 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -3.189 -13.067 -4.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -0.912 -12.289 -3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.101 -11.200 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.280 -12.175 -1.919 1.00 0.00 H new ATOM 905 N TYR A 118 -8.880 -5.332 4.101 1.00 0.00 N ATOM 906 CA TYR A 118 -8.118 -4.165 3.649 1.00 0.00 C ATOM 907 C TYR A 118 -9.023 -3.097 2.989 1.00 0.00 C ATOM 908 O TYR A 118 -8.555 -2.307 2.165 1.00 0.00 O ATOM 909 CB TYR A 118 -6.997 -4.572 2.704 1.00 0.00 C ATOM 910 CG TYR A 118 -5.980 -5.518 3.309 1.00 0.00 C ATOM 911 CD1 TYR A 118 -4.941 -5.035 4.094 1.00 0.00 C ATOM 912 CD2 TYR A 118 -6.047 -6.882 3.081 1.00 0.00 C ATOM 913 CE1 TYR A 118 -3.998 -5.887 4.632 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.113 -7.740 3.621 1.00 0.00 C ATOM 915 CZ TYR A 118 -4.090 -7.238 4.393 1.00 0.00 C ATOM 916 OH TYR A 118 -3.140 -8.095 4.914 1.00 0.00 O ATOM 0 HA TYR A 118 -7.675 -3.715 4.538 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.434 -5.043 1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.482 -3.674 2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -4.870 -3.975 4.287 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.844 -7.280 2.470 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.193 -5.495 5.237 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.184 -8.802 3.439 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.462 -9.018 4.850 1.00 0.00 H new ATOM 926 N ASP A 119 -10.287 -3.087 3.390 1.00 0.00 N ATOM 927 CA ASP A 119 -11.338 -2.177 2.918 1.00 0.00 C ATOM 928 C ASP A 119 -10.879 -0.712 2.786 1.00 0.00 C ATOM 929 O ASP A 119 -10.794 -0.182 1.668 1.00 0.00 O ATOM 930 CB ASP A 119 -12.575 -2.277 3.876 1.00 0.00 C ATOM 931 CG ASP A 119 -12.215 -2.335 5.388 1.00 0.00 C ATOM 932 OD1 ASP A 119 -11.607 -1.380 5.936 1.00 0.00 O ATOM 933 OD2 ASP A 119 -12.474 -3.371 6.029 1.00 0.00 O ATOM 0 H ASP A 119 -10.631 -3.745 4.089 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.605 -2.495 1.910 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.224 -1.418 3.702 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -13.148 -3.167 3.617 1.00 0.00 H new ATOM 938 N ARG A 120 -10.531 -0.100 3.900 1.00 0.00 N ATOM 939 CA ARG A 120 -10.107 1.295 3.944 1.00 0.00 C ATOM 940 C ARG A 120 -8.859 1.562 3.129 1.00 0.00 C ATOM 941 O ARG A 120 -8.833 2.472 2.319 1.00 0.00 O ATOM 942 CB ARG A 120 -9.870 1.751 5.383 1.00 0.00 C ATOM 943 CG ARG A 120 -11.113 1.810 6.252 1.00 0.00 C ATOM 944 CD ARG A 120 -10.756 2.299 7.639 1.00 0.00 C ATOM 945 NE ARG A 120 -11.920 2.438 8.529 1.00 0.00 N ATOM 946 CZ ARG A 120 -11.862 2.943 9.782 1.00 0.00 C ATOM 947 NH1 ARG A 120 -10.675 3.231 10.334 1.00 0.00 N ATOM 948 NH2 ARG A 120 -12.987 3.116 10.491 1.00 0.00 N ATOM 0 H ARG A 120 -10.533 -0.557 4.812 1.00 0.00 H new ATOM 0 HA ARG A 120 -10.923 1.866 3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.152 1.076 5.848 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.412 2.740 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -11.849 2.476 5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -11.571 0.823 6.313 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -10.045 1.606 8.089 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -10.253 3.263 7.558 1.00 0.00 H new ATOM 0 HE ARG A 120 -12.828 2.134 8.178 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -9.816 3.069 9.809 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -10.631 3.612 11.279 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -13.889 2.866 10.085 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -12.941 3.497 11.436 1.00 0.00 H new ATOM 962 N VAL A 121 -7.847 0.752 3.330 1.00 0.00 N ATOM 963 CA VAL A 121 -6.557 0.983 2.703 1.00 0.00 C ATOM 964 C VAL A 121 -6.591 0.817 1.177 1.00 0.00 C ATOM 965 O VAL A 121 -6.060 1.646 0.456 1.00 0.00 O ATOM 966 CB VAL A 121 -5.416 0.124 3.347 1.00 0.00 C ATOM 967 CG1 VAL A 121 -5.742 -1.342 3.341 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.078 0.384 2.665 1.00 0.00 C ATOM 0 H VAL A 121 -7.887 -0.077 3.924 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.324 2.030 2.897 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.335 0.435 4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.923 -1.899 3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.657 -1.514 3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.883 -1.679 2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.306 -0.226 3.134 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.152 0.127 1.608 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -3.818 1.438 2.764 1.00 0.00 H new ATOM 978 N TYR A 122 -7.259 -0.209 0.697 1.00 0.00 N ATOM 979 CA TYR A 122 -7.266 -0.479 -0.721 1.00 0.00 C ATOM 980 C TYR A 122 -8.105 0.555 -1.478 1.00 0.00 C ATOM 981 O TYR A 122 -7.614 1.216 -2.398 1.00 0.00 O ATOM 982 CB TYR A 122 -7.749 -1.906 -0.999 1.00 0.00 C ATOM 983 CG TYR A 122 -7.708 -2.275 -2.456 1.00 0.00 C ATOM 984 CD1 TYR A 122 -6.510 -2.614 -3.066 1.00 0.00 C ATOM 985 CD2 TYR A 122 -8.857 -2.258 -3.225 1.00 0.00 C ATOM 986 CE1 TYR A 122 -6.462 -2.931 -4.402 1.00 0.00 C ATOM 987 CE2 TYR A 122 -8.822 -2.568 -4.560 1.00 0.00 C ATOM 988 CZ TYR A 122 -7.619 -2.907 -5.150 1.00 0.00 C ATOM 989 OH TYR A 122 -7.571 -3.210 -6.488 1.00 0.00 O ATOM 0 H TYR A 122 -7.799 -0.864 1.263 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.243 -0.396 -1.087 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.132 -2.607 -0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -8.770 -2.014 -0.633 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -5.601 -2.629 -2.483 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -9.799 -1.996 -2.766 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -5.523 -3.198 -4.863 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -9.728 -2.547 -5.147 1.00 0.00 H new ATOM 0 HH TYR A 122 -6.760 -3.727 -6.677 1.00 0.00 H new ATOM 999 N ASN A 123 -9.353 0.703 -1.072 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.266 1.654 -1.713 1.00 0.00 C ATOM 1001 C ASN A 123 -9.790 3.095 -1.507 1.00 0.00 C ATOM 1002 O ASN A 123 -9.855 3.909 -2.423 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.700 1.472 -1.179 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.745 2.395 -1.828 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -13.708 2.787 -1.187 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -12.586 2.718 -3.098 1.00 0.00 N ATOM 0 H ASN A 123 -9.766 0.179 -0.300 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.270 1.451 -2.784 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -12.003 0.436 -1.334 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.698 1.646 -0.103 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -13.276 3.307 -3.565 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -11.773 2.379 -3.613 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.263 3.378 -0.326 1.00 0.00 N ATOM 1014 CA GLY A 124 -8.791 4.706 -0.013 1.00 0.00 C ATOM 1015 C GLY A 124 -7.589 5.103 -0.838 1.00 0.00 C ATOM 1016 O GLY A 124 -7.463 6.264 -1.237 1.00 0.00 O ATOM 0 H GLY A 124 -9.154 2.701 0.429 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.595 5.423 -0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.534 4.757 1.045 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.706 4.145 -1.096 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.506 4.377 -1.892 1.00 0.00 C ATOM 1022 C TYR A 125 -5.847 4.733 -3.333 1.00 0.00 C ATOM 1023 O TYR A 125 -5.164 5.541 -3.940 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.569 3.157 -1.826 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.402 3.186 -2.794 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.306 4.017 -2.598 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -3.401 2.368 -3.902 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.250 4.024 -3.493 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -2.360 2.369 -4.784 1.00 0.00 C ATOM 1030 CZ TYR A 125 -1.293 3.188 -4.585 1.00 0.00 C ATOM 1031 OH TYR A 125 -0.276 3.183 -5.505 1.00 0.00 O ATOM 0 H TYR A 125 -6.801 3.187 -0.760 1.00 0.00 H new ATOM 0 HA TYR A 125 -4.983 5.233 -1.465 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.177 3.074 -0.812 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -5.155 2.258 -2.016 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.278 4.666 -1.736 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.241 1.712 -4.076 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.404 4.677 -3.336 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -2.384 1.716 -5.644 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.512 3.765 -6.257 1.00 0.00 H new ATOM 1041 N MET A 126 -6.928 4.153 -3.842 1.00 0.00 N ATOM 1042 CA MET A 126 -7.403 4.359 -5.231 1.00 0.00 C ATOM 1043 C MET A 126 -7.506 5.844 -5.599 1.00 0.00 C ATOM 1044 O MET A 126 -7.194 6.223 -6.729 1.00 0.00 O ATOM 1045 CB MET A 126 -8.760 3.662 -5.418 1.00 0.00 C ATOM 1046 CG MET A 126 -9.417 3.874 -6.774 1.00 0.00 C ATOM 1047 SD MET A 126 -11.013 3.036 -6.899 1.00 0.00 S ATOM 1048 CE MET A 126 -11.520 3.539 -8.543 1.00 0.00 C ATOM 0 H MET A 126 -7.516 3.516 -3.305 1.00 0.00 H new ATOM 0 HA MET A 126 -6.667 3.919 -5.904 1.00 0.00 H new ATOM 0 HB2 MET A 126 -8.625 2.592 -5.261 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.441 4.014 -4.643 1.00 0.00 H new ATOM 0 HG2 MET A 126 -9.555 4.941 -6.946 1.00 0.00 H new ATOM 0 HG3 MET A 126 -8.754 3.508 -7.558 1.00 0.00 H new ATOM 0 HE1 MET A 126 -12.492 3.103 -8.773 1.00 0.00 H new ATOM 0 HE2 MET A 126 -11.591 4.626 -8.585 1.00 0.00 H new ATOM 0 HE3 MET A 126 -10.786 3.195 -9.271 1.00 0.00 H new ATOM 1058 N THR A 127 -7.866 6.660 -4.621 1.00 0.00 N ATOM 1059 CA THR A 127 -8.047 8.101 -4.773 1.00 0.00 C ATOM 1060 C THR A 127 -6.764 8.806 -5.303 1.00 0.00 C ATOM 1061 O THR A 127 -6.835 9.887 -5.875 1.00 0.00 O ATOM 1062 CB THR A 127 -8.398 8.696 -3.399 1.00 0.00 C ATOM 1063 OG1 THR A 127 -9.261 7.772 -2.701 1.00 0.00 O ATOM 1064 CG2 THR A 127 -9.125 10.029 -3.549 1.00 0.00 C ATOM 0 H THR A 127 -8.046 6.332 -3.672 1.00 0.00 H new ATOM 0 HA THR A 127 -8.843 8.264 -5.500 1.00 0.00 H new ATOM 0 HB THR A 127 -7.475 8.863 -2.844 1.00 0.00 H new ATOM 0 HG1 THR A 127 -8.728 7.230 -2.083 1.00 0.00 H new ATOM 0 HG21 THR A 127 -9.361 10.428 -2.562 1.00 0.00 H new ATOM 0 HG22 THR A 127 -8.486 10.734 -4.082 1.00 0.00 H new ATOM 0 HG23 THR A 127 -10.047 9.879 -4.110 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.589 8.161 -5.146 1.00 0.00 N ATOM 1073 CA TYR A 128 -4.327 8.778 -5.559 1.00 0.00 C ATOM 1074 C TYR A 128 -4.306 9.025 -7.064 1.00 0.00 C ATOM 1075 O TYR A 128 -3.671 9.941 -7.527 1.00 0.00 O ATOM 1076 CB TYR A 128 -3.087 7.944 -5.121 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.668 6.774 -6.034 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.545 5.751 -6.377 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -1.377 6.716 -6.554 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -3.152 4.715 -7.196 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.981 5.683 -7.373 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.872 4.686 -7.691 1.00 0.00 C ATOM 1083 OH TYR A 128 -1.467 3.637 -8.489 1.00 0.00 O ATOM 0 H TYR A 128 -5.495 7.229 -4.742 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.264 9.738 -5.048 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.239 8.622 -5.030 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.283 7.543 -4.127 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.555 5.769 -5.994 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.673 7.497 -6.310 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.848 3.929 -7.448 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.025 5.656 -7.764 1.00 0.00 H new ATOM 0 HH TYR A 128 -0.533 3.770 -8.756 1.00 0.00 H new ATOM 1093 N ARG A 129 -5.096 8.244 -7.795 1.00 0.00 N ATOM 1094 CA ARG A 129 -5.140 8.295 -9.252 1.00 0.00 C ATOM 1095 C ARG A 129 -5.667 9.618 -9.784 1.00 0.00 C ATOM 1096 O ARG A 129 -5.449 9.949 -10.947 1.00 0.00 O ATOM 1097 CB ARG A 129 -5.955 7.113 -9.802 1.00 0.00 C ATOM 1098 CG ARG A 129 -5.279 5.747 -9.660 1.00 0.00 C ATOM 1099 CD ARG A 129 -4.098 5.548 -10.630 1.00 0.00 C ATOM 1100 NE ARG A 129 -3.028 6.557 -10.491 1.00 0.00 N ATOM 1101 CZ ARG A 129 -2.270 7.029 -11.493 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -2.424 6.571 -12.742 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -1.386 7.955 -11.249 1.00 0.00 N ATOM 0 H ARG A 129 -5.728 7.553 -7.390 1.00 0.00 H new ATOM 0 HA ARG A 129 -4.112 8.214 -9.606 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.916 7.082 -9.289 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -6.162 7.292 -10.857 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -4.923 5.630 -8.636 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -6.018 4.964 -9.832 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -3.672 4.558 -10.469 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -4.474 5.571 -11.653 1.00 0.00 H new ATOM 0 HE ARG A 129 -2.851 6.925 -9.557 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -3.123 5.856 -12.940 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -1.842 6.938 -13.495 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -1.274 8.316 -10.302 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -0.806 8.319 -12.005 1.00 0.00 H new ATOM 1117 N ASP A 130 -6.334 10.358 -8.936 1.00 0.00 N ATOM 1118 CA ASP A 130 -6.894 11.643 -9.304 1.00 0.00 C ATOM 1119 C ASP A 130 -5.879 12.770 -9.117 1.00 0.00 C ATOM 1120 O ASP A 130 -6.105 13.899 -9.563 1.00 0.00 O ATOM 1121 CB ASP A 130 -8.158 11.936 -8.476 1.00 0.00 C ATOM 1122 CG ASP A 130 -9.286 10.947 -8.732 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -9.228 9.816 -8.180 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -10.235 11.297 -9.467 1.00 0.00 O ATOM 0 H ASP A 130 -6.507 10.090 -7.967 1.00 0.00 H new ATOM 0 HA ASP A 130 -7.159 11.595 -10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -7.902 11.919 -7.417 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -8.508 12.943 -8.703 1.00 0.00 H new ATOM 1129 N TYR A 131 -4.754 12.486 -8.452 1.00 0.00 N ATOM 1130 CA TYR A 131 -3.763 13.536 -8.203 1.00 0.00 C ATOM 1131 C TYR A 131 -2.293 13.142 -8.429 1.00 0.00 C ATOM 1132 O TYR A 131 -1.473 14.006 -8.733 1.00 0.00 O ATOM 1133 CB TYR A 131 -3.982 14.250 -6.844 1.00 0.00 C ATOM 1134 CG TYR A 131 -4.251 13.346 -5.650 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -3.218 12.784 -4.910 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -5.556 13.074 -5.261 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -3.485 11.974 -3.817 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -5.828 12.273 -4.176 1.00 0.00 C ATOM 1139 CZ TYR A 131 -4.798 11.725 -3.458 1.00 0.00 C ATOM 1140 OH TYR A 131 -5.077 10.916 -2.386 1.00 0.00 O ATOM 0 H TYR A 131 -4.511 11.565 -8.086 1.00 0.00 H new ATOM 0 HA TYR A 131 -3.958 14.260 -8.994 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -3.100 14.852 -6.627 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -4.820 14.939 -6.949 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -2.194 12.981 -5.190 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -6.375 13.500 -5.822 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -2.674 11.541 -3.250 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -6.851 12.077 -3.891 1.00 0.00 H new ATOM 0 HH TYR A 131 -5.050 11.445 -1.561 1.00 0.00 H new ATOM 1150 N VAL A 132 -1.959 11.879 -8.270 1.00 0.00 N ATOM 1151 CA VAL A 132 -0.592 11.408 -8.468 1.00 0.00 C ATOM 1152 C VAL A 132 -0.571 10.132 -9.304 1.00 0.00 C ATOM 1153 O VAL A 132 -0.063 10.162 -10.430 1.00 0.00 O ATOM 1154 CB VAL A 132 0.229 11.227 -7.136 1.00 0.00 C ATOM 1155 CG1 VAL A 132 0.598 12.576 -6.533 1.00 0.00 C ATOM 1156 CG2 VAL A 132 -0.538 10.408 -6.110 1.00 0.00 C ATOM 1157 OXT VAL A 132 -1.151 9.094 -8.874 1.00 0.00 O ATOM 0 H VAL A 132 -2.618 11.148 -8.002 1.00 0.00 H new ATOM 0 HA VAL A 132 -0.084 12.202 -9.016 1.00 0.00 H new ATOM 0 HB VAL A 132 1.140 10.690 -7.398 1.00 0.00 H new ATOM 0 HG11 VAL A 132 1.164 12.421 -5.614 1.00 0.00 H new ATOM 0 HG12 VAL A 132 1.205 13.138 -7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 132 -0.310 13.135 -6.309 1.00 0.00 H new ATOM 0 HG21 VAL A 132 0.061 10.305 -5.205 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -1.475 10.911 -5.870 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -0.751 9.420 -6.519 1.00 0.00 H new