USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=23 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 123 ASN : amide:sc= -0.387! X(o=-0.4!,f=-0.2) USER MOD Set 1.2: A 126 MET CE :methyl -115:sc= -0.0111 (180deg=-0.287) USER MOD Set 2.1: A 76 LYS NZ :NH3+ -140:sc= 1.2 (180deg=-1.4) USER MOD Set 2.2: A 118 TYR OH : rot 166:sc= 0.981 USER MOD Single : A 72 LYS NZ :NH3+ 169:sc= 1.06 (180deg=0.536) USER MOD Single : A 77 LYS NZ :NH3+ 161:sc= -1.63 (180deg=-2.68!) USER MOD Single : A 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ -119:sc= 1.02 (180deg=-1.09) USER MOD Single : A 83 MET CE :methyl -143:sc= -0.166 (180deg=-0.547) USER MOD Single : A 87 SER OG : rot 107:sc= 1.25 USER MOD Single : A 88 LYS NZ :NH3+ -147:sc= -1.2! (180deg=-5.83!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 GLN : amide:sc= -0.396 X(o=-0.4,f=0) USER MOD Single : A 95 LYS NZ :NH3+ 155:sc= -0.361 (180deg=-0.946!) USER MOD Single : A 99 LYS NZ :NH3+ -140:sc= 0.432 (180deg=-1.15!) USER MOD Single : A 101 TYR OH : rot 50:sc= 0.0514 USER MOD Single : A 102 THR OG1 : rot 180:sc= -0.0668 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN :FLIP amide:sc= -0.117 F(o=-0.72,f=-0.12) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 111 LYS NZ :NH3+ -115:sc= 1.03 (180deg=-1.27) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 TYR OH : rot -97:sc= 0.228 USER MOD Single : A 127 THR OG1 : rot 75:sc= 0.442 USER MOD Single : A 128 TYR OH : rot 37:sc= 0.64 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 7.979 -6.960 -1.453 1.00 0.00 N ATOM 152 CA GLU A 71 7.897 -6.322 -0.116 1.00 0.00 C ATOM 153 C GLU A 71 6.445 -6.268 0.403 1.00 0.00 C ATOM 154 O GLU A 71 6.120 -5.480 1.274 1.00 0.00 O ATOM 155 CB GLU A 71 8.413 -4.899 -0.247 1.00 0.00 C ATOM 156 CG GLU A 71 9.805 -4.789 -0.835 1.00 0.00 C ATOM 157 CD GLU A 71 10.138 -3.370 -1.189 1.00 0.00 C ATOM 158 OE1 GLU A 71 9.756 -2.913 -2.299 1.00 0.00 O ATOM 159 OE2 GLU A 71 10.761 -2.658 -0.387 1.00 0.00 O ATOM 0 HA GLU A 71 8.488 -6.908 0.588 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.723 -4.331 -0.871 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.410 -4.432 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.535 -5.168 -0.120 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.876 -5.414 -1.725 1.00 0.00 H new ATOM 166 N LYS A 72 5.623 -7.175 -0.070 1.00 0.00 N ATOM 167 CA LYS A 72 4.190 -7.205 0.197 1.00 0.00 C ATOM 168 C LYS A 72 3.866 -7.403 1.683 1.00 0.00 C ATOM 169 O LYS A 72 2.788 -7.059 2.141 1.00 0.00 O ATOM 170 CB LYS A 72 3.543 -8.281 -0.654 1.00 0.00 C ATOM 171 CG LYS A 72 4.017 -9.695 -0.373 1.00 0.00 C ATOM 172 CD LYS A 72 3.590 -10.639 -1.482 1.00 0.00 C ATOM 173 CE LYS A 72 2.070 -10.707 -1.642 1.00 0.00 C ATOM 174 NZ LYS A 72 1.658 -11.477 -2.839 1.00 0.00 N ATOM 0 H LYS A 72 5.935 -7.939 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 72 3.779 -6.231 -0.070 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.464 -8.240 -0.506 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.730 -8.054 -1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.103 -9.707 -0.278 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.610 -10.037 0.578 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.037 -10.315 -2.422 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.975 -11.637 -1.273 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.635 -11.164 -0.753 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.670 -9.695 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.634 -11.653 -2.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.887 -10.935 -3.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.164 -12.385 -2.859 1.00 0.00 H new ATOM 188 N ALA A 73 4.774 -7.989 2.409 1.00 0.00 N ATOM 189 CA ALA A 73 4.603 -8.103 3.851 1.00 0.00 C ATOM 190 C ALA A 73 4.802 -6.731 4.521 1.00 0.00 C ATOM 191 O ALA A 73 4.074 -6.358 5.442 1.00 0.00 O ATOM 192 CB ALA A 73 5.558 -9.127 4.426 1.00 0.00 C ATOM 0 H ALA A 73 5.635 -8.395 2.043 1.00 0.00 H new ATOM 0 HA ALA A 73 3.587 -8.442 4.054 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.412 -9.195 5.504 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.366 -10.099 3.972 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.584 -8.825 4.217 1.00 0.00 H new ATOM 198 N ALA A 74 5.742 -5.961 3.997 1.00 0.00 N ATOM 199 CA ALA A 74 6.066 -4.656 4.544 1.00 0.00 C ATOM 200 C ALA A 74 5.008 -3.636 4.150 1.00 0.00 C ATOM 201 O ALA A 74 4.653 -2.755 4.947 1.00 0.00 O ATOM 202 CB ALA A 74 7.447 -4.207 4.082 1.00 0.00 C ATOM 0 H ALA A 74 6.299 -6.223 3.184 1.00 0.00 H new ATOM 0 HA ALA A 74 6.080 -4.732 5.631 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.671 -3.227 4.503 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.195 -4.925 4.418 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.465 -4.147 2.994 1.00 0.00 H new ATOM 208 N VAL A 75 4.496 -3.765 2.927 1.00 0.00 N ATOM 209 CA VAL A 75 3.448 -2.905 2.423 1.00 0.00 C ATOM 210 C VAL A 75 2.181 -3.032 3.286 1.00 0.00 C ATOM 211 O VAL A 75 1.515 -2.042 3.556 1.00 0.00 O ATOM 212 CB VAL A 75 3.129 -3.219 0.937 1.00 0.00 C ATOM 213 CG1 VAL A 75 4.359 -3.265 0.074 1.00 0.00 C ATOM 214 CG2 VAL A 75 2.240 -4.420 0.734 1.00 0.00 C ATOM 0 H VAL A 75 4.804 -4.475 2.262 1.00 0.00 H new ATOM 0 HA VAL A 75 3.804 -1.876 2.479 1.00 0.00 H new ATOM 0 HB VAL A 75 2.538 -2.368 0.598 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.074 -3.488 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 75 4.864 -2.300 0.109 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.032 -4.040 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 75 2.067 -4.569 -0.332 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.723 -5.304 1.150 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.287 -4.256 1.237 1.00 0.00 H new ATOM 224 N LYS A 76 1.894 -4.252 3.777 1.00 0.00 N ATOM 225 CA LYS A 76 0.735 -4.470 4.635 1.00 0.00 C ATOM 226 C LYS A 76 0.897 -3.741 5.947 1.00 0.00 C ATOM 227 O LYS A 76 -0.069 -3.262 6.519 1.00 0.00 O ATOM 228 CB LYS A 76 0.500 -5.933 4.951 1.00 0.00 C ATOM 229 CG LYS A 76 0.058 -6.815 3.803 1.00 0.00 C ATOM 230 CD LYS A 76 -0.190 -8.221 4.329 1.00 0.00 C ATOM 231 CE LYS A 76 -0.761 -9.166 3.280 1.00 0.00 C ATOM 232 NZ LYS A 76 -2.060 -8.690 2.757 1.00 0.00 N ATOM 0 H LYS A 76 2.448 -5.088 3.592 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.119 -4.089 4.075 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.422 -6.345 5.361 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.253 -5.995 5.737 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.850 -6.417 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.822 -6.833 3.025 1.00 0.00 H new ATOM 0 HD2 LYS A 76 0.747 -8.631 4.705 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.877 -8.169 5.174 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.053 -9.265 2.457 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.886 -10.158 3.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -2.703 -9.499 2.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.477 -8.014 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.915 -8.223 1.839 1.00 0.00 H new ATOM 246 N LYS A 77 2.134 -3.643 6.409 1.00 0.00 N ATOM 247 CA LYS A 77 2.440 -2.981 7.667 1.00 0.00 C ATOM 248 C LYS A 77 2.179 -1.475 7.500 1.00 0.00 C ATOM 249 O LYS A 77 1.956 -0.751 8.470 1.00 0.00 O ATOM 250 CB LYS A 77 3.926 -3.233 8.039 1.00 0.00 C ATOM 251 CG LYS A 77 4.261 -3.315 9.552 1.00 0.00 C ATOM 252 CD LYS A 77 3.984 -2.042 10.391 1.00 0.00 C ATOM 253 CE LYS A 77 4.937 -0.856 10.111 1.00 0.00 C ATOM 254 NZ LYS A 77 4.699 -0.191 8.803 1.00 0.00 N ATOM 0 H LYS A 77 2.950 -4.018 5.925 1.00 0.00 H new ATOM 0 HA LYS A 77 1.812 -3.375 8.466 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.241 -4.165 7.570 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.527 -2.436 7.600 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.692 -4.139 9.983 1.00 0.00 H new ATOM 0 HG3 LYS A 77 5.316 -3.568 9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 77 2.960 -1.718 10.205 1.00 0.00 H new ATOM 0 HD3 LYS A 77 4.050 -2.300 11.448 1.00 0.00 H new ATOM 0 HE2 LYS A 77 4.829 -0.120 10.907 1.00 0.00 H new ATOM 0 HE3 LYS A 77 5.966 -1.213 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 5.126 0.757 8.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.129 -0.756 8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.676 -0.108 8.637 1.00 0.00 H new ATOM 268 N MET A 78 2.260 -1.001 6.278 1.00 0.00 N ATOM 269 CA MET A 78 2.001 0.400 5.998 1.00 0.00 C ATOM 270 C MET A 78 0.501 0.572 5.857 1.00 0.00 C ATOM 271 O MET A 78 -0.104 1.449 6.480 1.00 0.00 O ATOM 272 CB MET A 78 2.693 0.858 4.698 1.00 0.00 C ATOM 273 CG MET A 78 4.168 0.480 4.574 1.00 0.00 C ATOM 274 SD MET A 78 5.180 0.974 5.994 1.00 0.00 S ATOM 275 CE MET A 78 6.796 0.428 5.427 1.00 0.00 C ATOM 0 H MET A 78 2.502 -1.561 5.460 1.00 0.00 H new ATOM 0 HA MET A 78 2.398 1.007 6.812 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.154 0.434 3.851 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.605 1.942 4.622 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.246 -0.599 4.444 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.575 0.940 3.674 1.00 0.00 H new ATOM 0 HE1 MET A 78 7.544 0.656 6.186 1.00 0.00 H new ATOM 0 HE2 MET A 78 6.775 -0.647 5.250 1.00 0.00 H new ATOM 0 HE3 MET A 78 7.050 0.943 4.501 1.00 0.00 H new ATOM 285 N ALA A 79 -0.078 -0.333 5.077 1.00 0.00 N ATOM 286 CA ALA A 79 -1.503 -0.386 4.778 1.00 0.00 C ATOM 287 C ALA A 79 -2.345 -0.455 6.052 1.00 0.00 C ATOM 288 O ALA A 79 -3.368 0.209 6.176 1.00 0.00 O ATOM 289 CB ALA A 79 -1.788 -1.607 3.900 1.00 0.00 C ATOM 0 H ALA A 79 0.451 -1.076 4.620 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.776 0.528 4.251 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.853 -1.651 3.673 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -1.222 -1.528 2.972 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.492 -2.513 4.429 1.00 0.00 H new ATOM 295 N LYS A 80 -1.907 -1.265 6.976 1.00 0.00 N ATOM 296 CA LYS A 80 -2.579 -1.444 8.256 1.00 0.00 C ATOM 297 C LYS A 80 -2.642 -0.099 9.003 1.00 0.00 C ATOM 298 O LYS A 80 -3.686 0.290 9.502 1.00 0.00 O ATOM 299 CB LYS A 80 -1.793 -2.491 9.088 1.00 0.00 C ATOM 300 CG LYS A 80 -2.500 -3.187 10.292 1.00 0.00 C ATOM 301 CD LYS A 80 -2.884 -2.269 11.472 1.00 0.00 C ATOM 302 CE LYS A 80 -4.344 -1.781 11.394 1.00 0.00 C ATOM 303 NZ LYS A 80 -5.335 -2.891 11.287 1.00 0.00 N ATOM 0 H LYS A 80 -1.065 -1.831 6.871 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.598 -1.797 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.462 -3.273 8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.897 -2.002 9.471 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.404 -3.673 9.926 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.845 -3.974 10.667 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -2.734 -2.806 12.409 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.217 -1.407 11.488 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -4.569 -1.187 12.280 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.453 -1.122 10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -5.863 -2.800 10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.837 -3.804 11.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.997 -2.844 12.088 1.00 0.00 H new ATOM 317 N ALA A 81 -1.557 0.613 9.023 1.00 0.00 N ATOM 318 CA ALA A 81 -1.479 1.822 9.810 1.00 0.00 C ATOM 319 C ALA A 81 -2.276 2.978 9.197 1.00 0.00 C ATOM 320 O ALA A 81 -2.869 3.772 9.919 1.00 0.00 O ATOM 321 CB ALA A 81 -0.041 2.171 10.086 1.00 0.00 C ATOM 0 H ALA A 81 -0.708 0.384 8.505 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.959 1.633 10.770 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.004 3.084 10.680 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.432 1.357 10.635 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.483 2.325 9.143 1.00 0.00 H new ATOM 327 N ILE A 82 -2.335 3.040 7.879 1.00 0.00 N ATOM 328 CA ILE A 82 -3.152 4.057 7.211 1.00 0.00 C ATOM 329 C ILE A 82 -4.650 3.656 7.289 1.00 0.00 C ATOM 330 O ILE A 82 -5.563 4.483 7.201 1.00 0.00 O ATOM 331 CB ILE A 82 -2.686 4.310 5.742 1.00 0.00 C ATOM 332 CG1 ILE A 82 -3.563 5.355 5.047 1.00 0.00 C ATOM 333 CG2 ILE A 82 -2.626 3.033 4.957 1.00 0.00 C ATOM 334 CD1 ILE A 82 -3.169 5.650 3.624 1.00 0.00 C ATOM 0 H ILE A 82 -1.837 2.410 7.250 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.021 5.005 7.732 1.00 0.00 H new ATOM 0 HB ILE A 82 -1.674 4.713 5.787 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -4.597 5.011 5.061 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.527 6.281 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.298 3.246 3.940 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -1.921 2.348 5.429 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.615 2.575 4.931 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -3.842 6.400 3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.146 6.027 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -3.233 4.737 3.032 1.00 0.00 H new ATOM 346 N MET A 83 -4.878 2.365 7.462 1.00 0.00 N ATOM 347 CA MET A 83 -6.205 1.838 7.741 1.00 0.00 C ATOM 348 C MET A 83 -6.661 2.317 9.117 1.00 0.00 C ATOM 349 O MET A 83 -7.847 2.512 9.350 1.00 0.00 O ATOM 350 CB MET A 83 -6.189 0.299 7.687 1.00 0.00 C ATOM 351 CG MET A 83 -7.335 -0.395 8.417 1.00 0.00 C ATOM 352 SD MET A 83 -7.035 -2.169 8.656 1.00 0.00 S ATOM 353 CE MET A 83 -6.986 -2.740 6.955 1.00 0.00 C ATOM 0 H MET A 83 -4.150 1.652 7.413 1.00 0.00 H new ATOM 0 HA MET A 83 -6.903 2.200 6.986 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.206 -0.011 6.642 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.247 -0.052 8.108 1.00 0.00 H new ATOM 0 HG2 MET A 83 -7.483 0.079 9.387 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.257 -0.259 7.852 1.00 0.00 H new ATOM 0 HE1 MET A 83 -7.452 -3.723 6.888 1.00 0.00 H new ATOM 0 HE2 MET A 83 -7.526 -2.038 6.320 1.00 0.00 H new ATOM 0 HE3 MET A 83 -5.950 -2.806 6.623 1.00 0.00 H new ATOM 363 N ALA A 84 -5.712 2.515 10.007 1.00 0.00 N ATOM 364 CA ALA A 84 -6.004 2.994 11.334 1.00 0.00 C ATOM 365 C ALA A 84 -6.264 4.491 11.291 1.00 0.00 C ATOM 366 O ALA A 84 -7.366 4.948 11.635 1.00 0.00 O ATOM 367 CB ALA A 84 -4.868 2.658 12.295 1.00 0.00 C ATOM 0 H ALA A 84 -4.722 2.348 9.829 1.00 0.00 H new ATOM 0 HA ALA A 84 -6.900 2.495 11.703 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.111 3.030 13.290 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.732 1.577 12.334 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.947 3.127 11.948 1.00 0.00 H new ATOM 373 N ASP A 85 -5.293 5.242 10.819 1.00 0.00 N ATOM 374 CA ASP A 85 -5.437 6.681 10.725 1.00 0.00 C ATOM 375 C ASP A 85 -5.350 7.154 9.290 1.00 0.00 C ATOM 376 O ASP A 85 -4.328 6.954 8.614 1.00 0.00 O ATOM 377 CB ASP A 85 -4.417 7.441 11.570 1.00 0.00 C ATOM 378 CG ASP A 85 -4.556 8.936 11.342 1.00 0.00 C ATOM 379 OD1 ASP A 85 -5.516 9.538 11.847 1.00 0.00 O ATOM 380 OD2 ASP A 85 -3.753 9.505 10.568 1.00 0.00 O ATOM 0 H ASP A 85 -4.396 4.882 10.494 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.428 6.901 11.122 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.565 7.211 12.625 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.408 7.119 11.312 1.00 0.00 H new ATOM 385 N PRO A 86 -6.420 7.772 8.786 1.00 0.00 N ATOM 386 CA PRO A 86 -6.446 8.319 7.457 1.00 0.00 C ATOM 387 C PRO A 86 -6.136 9.832 7.443 1.00 0.00 C ATOM 388 O PRO A 86 -6.375 10.498 6.450 1.00 0.00 O ATOM 389 CB PRO A 86 -7.899 8.079 7.054 1.00 0.00 C ATOM 390 CG PRO A 86 -8.679 8.236 8.327 1.00 0.00 C ATOM 391 CD PRO A 86 -7.718 7.967 9.468 1.00 0.00 C ATOM 0 HA PRO A 86 -5.703 7.871 6.797 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.224 8.795 6.300 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.033 7.085 6.628 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -9.097 9.240 8.403 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.517 7.539 8.355 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.682 8.802 10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.009 7.085 10.038 1.00 0.00 H new ATOM 399 N SER A 87 -5.604 10.354 8.536 1.00 0.00 N ATOM 400 CA SER A 87 -5.306 11.772 8.640 1.00 0.00 C ATOM 401 C SER A 87 -3.876 12.019 8.159 1.00 0.00 C ATOM 402 O SER A 87 -3.579 13.004 7.512 1.00 0.00 O ATOM 403 CB SER A 87 -5.452 12.213 10.096 1.00 0.00 C ATOM 404 OG SER A 87 -6.637 11.670 10.671 1.00 0.00 O ATOM 0 H SER A 87 -5.369 9.813 9.368 1.00 0.00 H new ATOM 0 HA SER A 87 -5.998 12.345 8.023 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.583 11.889 10.668 1.00 0.00 H new ATOM 0 HB3 SER A 87 -5.481 13.301 10.150 1.00 0.00 H new ATOM 0 HG SER A 87 -6.399 10.958 11.300 1.00 0.00 H new ATOM 410 N LYS A 88 -2.993 11.102 8.505 1.00 0.00 N ATOM 411 CA LYS A 88 -1.611 11.140 8.063 1.00 0.00 C ATOM 412 C LYS A 88 -1.442 10.451 6.699 1.00 0.00 C ATOM 413 O LYS A 88 -0.338 10.337 6.172 1.00 0.00 O ATOM 414 CB LYS A 88 -0.613 10.646 9.161 1.00 0.00 C ATOM 415 CG LYS A 88 -0.805 9.217 9.718 1.00 0.00 C ATOM 416 CD LYS A 88 -0.428 8.082 8.749 1.00 0.00 C ATOM 417 CE LYS A 88 1.087 7.981 8.465 1.00 0.00 C ATOM 418 NZ LYS A 88 1.623 9.134 7.709 1.00 0.00 N ATOM 0 H LYS A 88 -3.214 10.306 9.103 1.00 0.00 H new ATOM 0 HA LYS A 88 -1.341 12.184 7.905 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.395 10.714 8.752 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.665 11.342 9.998 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -0.208 9.114 10.624 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.848 9.094 10.008 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.775 7.135 9.162 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -0.955 8.231 7.807 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.621 7.897 9.411 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.284 7.066 7.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.396 8.815 7.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.866 9.552 7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 1.984 9.847 8.374 1.00 0.00 H new ATOM 432 N ALA A 89 -2.541 9.898 6.225 1.00 0.00 N ATOM 433 CA ALA A 89 -2.650 9.137 4.973 1.00 0.00 C ATOM 434 C ALA A 89 -1.863 9.720 3.782 1.00 0.00 C ATOM 435 O ALA A 89 -1.223 8.953 3.044 1.00 0.00 O ATOM 436 CB ALA A 89 -4.106 9.017 4.593 1.00 0.00 C ATOM 0 H ALA A 89 -3.431 9.964 6.718 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.198 8.166 5.177 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.194 8.453 3.664 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.647 8.499 5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.529 10.012 4.455 1.00 0.00 H new ATOM 442 N ASP A 90 -1.920 11.043 3.603 1.00 0.00 N ATOM 443 CA ASP A 90 -1.270 11.774 2.477 1.00 0.00 C ATOM 444 C ASP A 90 0.140 11.311 2.190 1.00 0.00 C ATOM 445 O ASP A 90 0.449 10.872 1.060 1.00 0.00 O ATOM 446 CB ASP A 90 -1.253 13.277 2.743 1.00 0.00 C ATOM 447 CG ASP A 90 -2.632 13.870 2.776 1.00 0.00 C ATOM 448 OD1 ASP A 90 -3.362 13.582 3.744 1.00 0.00 O ATOM 449 OD2 ASP A 90 -2.993 14.594 1.827 1.00 0.00 O ATOM 0 H ASP A 90 -2.425 11.660 4.240 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.874 11.550 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -0.755 13.469 3.694 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.666 13.773 1.970 1.00 0.00 H new ATOM 454 N ASP A 91 0.992 11.344 3.204 1.00 0.00 N ATOM 455 CA ASP A 91 2.397 10.974 3.024 1.00 0.00 C ATOM 456 C ASP A 91 2.557 9.505 2.685 1.00 0.00 C ATOM 457 O ASP A 91 3.489 9.141 1.994 1.00 0.00 O ATOM 458 CB ASP A 91 3.307 11.360 4.219 1.00 0.00 C ATOM 459 CG ASP A 91 2.966 10.664 5.522 1.00 0.00 C ATOM 460 OD1 ASP A 91 3.245 9.446 5.679 1.00 0.00 O ATOM 461 OD2 ASP A 91 2.409 11.312 6.426 1.00 0.00 O ATOM 0 H ASP A 91 0.743 11.620 4.154 1.00 0.00 H new ATOM 0 HA ASP A 91 2.736 11.567 2.174 1.00 0.00 H new ATOM 0 HB2 ASP A 91 4.341 11.132 3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.247 12.438 4.371 1.00 0.00 H new ATOM 466 N VAL A 92 1.607 8.680 3.088 1.00 0.00 N ATOM 467 CA VAL A 92 1.696 7.251 2.823 1.00 0.00 C ATOM 468 C VAL A 92 1.310 6.994 1.380 1.00 0.00 C ATOM 469 O VAL A 92 1.911 6.164 0.726 1.00 0.00 O ATOM 470 CB VAL A 92 0.789 6.413 3.765 1.00 0.00 C ATOM 471 CG1 VAL A 92 0.958 4.918 3.511 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.087 6.727 5.210 1.00 0.00 C ATOM 0 H VAL A 92 0.771 8.969 3.596 1.00 0.00 H new ATOM 0 HA VAL A 92 2.724 6.940 3.010 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.245 6.682 3.551 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.310 4.359 4.186 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.689 4.692 2.479 1.00 0.00 H new ATOM 0 HG13 VAL A 92 1.996 4.634 3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.441 6.129 5.853 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.130 6.493 5.426 1.00 0.00 H new ATOM 0 HG23 VAL A 92 0.906 7.785 5.397 1.00 0.00 H new ATOM 482 N TYR A 93 0.333 7.751 0.869 1.00 0.00 N ATOM 483 CA TYR A 93 -0.067 7.608 -0.531 1.00 0.00 C ATOM 484 C TYR A 93 1.100 7.927 -1.422 1.00 0.00 C ATOM 485 O TYR A 93 1.431 7.171 -2.332 1.00 0.00 O ATOM 486 CB TYR A 93 -1.236 8.520 -0.918 1.00 0.00 C ATOM 487 CG TYR A 93 -2.526 8.247 -0.204 1.00 0.00 C ATOM 488 CD1 TYR A 93 -3.063 6.980 -0.184 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.203 9.256 0.448 1.00 0.00 C ATOM 490 CE1 TYR A 93 -4.242 6.721 0.462 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.388 9.010 1.099 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.905 7.736 1.104 1.00 0.00 C ATOM 493 OH TYR A 93 -6.089 7.472 1.752 1.00 0.00 O ATOM 0 H TYR A 93 -0.186 8.455 1.394 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.394 6.576 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -0.947 9.554 -0.729 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.407 8.428 -1.991 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -2.545 6.176 -0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -2.795 10.256 0.447 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -4.649 5.721 0.466 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -4.909 9.811 1.603 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.431 8.296 2.157 1.00 0.00 H new ATOM 503 N GLN A 94 1.765 9.024 -1.121 1.00 0.00 N ATOM 504 CA GLN A 94 2.898 9.437 -1.909 1.00 0.00 C ATOM 505 C GLN A 94 4.104 8.554 -1.645 1.00 0.00 C ATOM 506 O GLN A 94 4.953 8.429 -2.480 1.00 0.00 O ATOM 507 CB GLN A 94 3.198 10.942 -1.742 1.00 0.00 C ATOM 508 CG GLN A 94 3.615 11.399 -0.355 1.00 0.00 C ATOM 509 CD GLN A 94 5.120 11.434 -0.129 1.00 0.00 C ATOM 510 OE1 GLN A 94 5.771 12.417 -0.429 1.00 0.00 O ATOM 511 NE2 GLN A 94 5.655 10.424 0.492 1.00 0.00 N ATOM 0 H GLN A 94 1.539 9.640 -0.340 1.00 0.00 H new ATOM 0 HA GLN A 94 2.642 9.302 -2.960 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.988 11.212 -2.442 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.309 11.502 -2.033 1.00 0.00 H new ATOM 0 HG2 GLN A 94 3.210 12.395 -0.177 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.165 10.736 0.383 1.00 0.00 H new ATOM 0 HE21 GLN A 94 5.085 9.613 0.731 1.00 0.00 H new ATOM 0 HE22 GLN A 94 6.644 10.444 0.740 1.00 0.00 H new ATOM 520 N LYS A 95 4.142 7.907 -0.483 1.00 0.00 N ATOM 521 CA LYS A 95 5.263 7.044 -0.136 1.00 0.00 C ATOM 522 C LYS A 95 5.053 5.650 -0.768 1.00 0.00 C ATOM 523 O LYS A 95 5.977 4.884 -0.958 1.00 0.00 O ATOM 524 CB LYS A 95 5.427 6.979 1.400 1.00 0.00 C ATOM 525 CG LYS A 95 6.856 6.748 1.891 1.00 0.00 C ATOM 526 CD LYS A 95 7.309 5.326 1.705 1.00 0.00 C ATOM 527 CE LYS A 95 8.802 5.176 1.979 1.00 0.00 C ATOM 528 NZ LYS A 95 9.642 5.921 0.986 1.00 0.00 N ATOM 0 H LYS A 95 3.414 7.964 0.229 1.00 0.00 H new ATOM 0 HA LYS A 95 6.190 7.452 -0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.058 7.911 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.794 6.179 1.784 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.532 7.414 1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.920 7.011 2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.748 4.674 2.374 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.090 5.003 0.687 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.023 5.539 2.983 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.069 4.119 1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.561 6.153 1.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.791 5.329 0.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.157 6.799 0.710 1.00 0.00 H new ATOM 542 N TRP A 96 3.837 5.353 -1.087 1.00 0.00 N ATOM 543 CA TRP A 96 3.498 4.143 -1.785 1.00 0.00 C ATOM 544 C TRP A 96 3.699 4.383 -3.283 1.00 0.00 C ATOM 545 O TRP A 96 4.146 3.494 -4.023 1.00 0.00 O ATOM 546 CB TRP A 96 2.081 3.756 -1.399 1.00 0.00 C ATOM 547 CG TRP A 96 1.637 2.439 -1.885 1.00 0.00 C ATOM 548 CD1 TRP A 96 1.315 2.161 -3.136 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.443 1.228 -1.131 1.00 0.00 C ATOM 550 NE1 TRP A 96 0.883 0.878 -3.255 1.00 0.00 N ATOM 551 CE2 TRP A 96 0.959 0.276 -2.037 1.00 0.00 C ATOM 552 CE3 TRP A 96 1.616 0.846 0.217 1.00 0.00 C ATOM 553 CZ2 TRP A 96 0.644 -1.012 -1.662 1.00 0.00 C ATOM 554 CZ3 TRP A 96 1.298 -0.436 0.574 1.00 0.00 C ATOM 555 CH2 TRP A 96 0.812 -1.349 -0.362 1.00 0.00 C ATOM 0 H TRP A 96 3.036 5.947 -0.871 1.00 0.00 H new ATOM 0 HA TRP A 96 4.137 3.303 -1.515 1.00 0.00 H new ATOM 0 HB2 TRP A 96 2.001 3.770 -0.312 1.00 0.00 H new ATOM 0 HB3 TRP A 96 1.398 4.515 -1.779 1.00 0.00 H new ATOM 0 HD1 TRP A 96 1.386 2.861 -3.956 1.00 0.00 H new ATOM 0 HE1 TRP A 96 0.556 0.439 -4.115 1.00 0.00 H new ATOM 0 HE3 TRP A 96 1.990 1.548 0.948 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 0.275 -1.728 -2.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 1.426 -0.747 1.600 1.00 0.00 H new ATOM 0 HH2 TRP A 96 0.564 -2.350 -0.041 1.00 0.00 H new ATOM 566 N ALA A 97 3.401 5.598 -3.710 1.00 0.00 N ATOM 567 CA ALA A 97 3.730 6.048 -5.061 1.00 0.00 C ATOM 568 C ALA A 97 5.264 6.096 -5.213 1.00 0.00 C ATOM 569 O ALA A 97 5.799 5.776 -6.262 1.00 0.00 O ATOM 570 CB ALA A 97 3.121 7.419 -5.330 1.00 0.00 C ATOM 0 H ALA A 97 2.928 6.299 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 97 3.315 5.350 -5.789 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.376 7.739 -6.340 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.037 7.362 -5.230 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.514 8.139 -4.612 1.00 0.00 H new ATOM 576 N ASP A 98 5.936 6.507 -4.123 1.00 0.00 N ATOM 577 CA ASP A 98 7.435 6.498 -3.960 1.00 0.00 C ATOM 578 C ASP A 98 8.004 5.121 -4.261 1.00 0.00 C ATOM 579 O ASP A 98 9.054 4.975 -4.877 1.00 0.00 O ATOM 580 CB ASP A 98 7.725 6.881 -2.493 1.00 0.00 C ATOM 581 CG ASP A 98 9.068 6.469 -1.887 1.00 0.00 C ATOM 582 OD1 ASP A 98 9.238 5.273 -1.507 1.00 0.00 O ATOM 583 OD2 ASP A 98 9.885 7.347 -1.591 1.00 0.00 O ATOM 0 H ASP A 98 5.456 6.868 -3.298 1.00 0.00 H new ATOM 0 HA ASP A 98 7.900 7.199 -4.653 1.00 0.00 H new ATOM 0 HB2 ASP A 98 7.641 7.965 -2.410 1.00 0.00 H new ATOM 0 HB3 ASP A 98 6.936 6.452 -1.875 1.00 0.00 H new ATOM 588 N LYS A 99 7.271 4.120 -3.848 1.00 0.00 N ATOM 589 CA LYS A 99 7.654 2.746 -4.033 1.00 0.00 C ATOM 590 C LYS A 99 7.377 2.255 -5.442 1.00 0.00 C ATOM 591 O LYS A 99 7.800 1.163 -5.815 1.00 0.00 O ATOM 592 CB LYS A 99 6.936 1.877 -3.026 1.00 0.00 C ATOM 593 CG LYS A 99 7.417 2.031 -1.592 1.00 0.00 C ATOM 594 CD LYS A 99 8.868 1.569 -1.422 1.00 0.00 C ATOM 595 CE LYS A 99 9.022 0.114 -1.840 1.00 0.00 C ATOM 596 NZ LYS A 99 10.397 -0.388 -1.702 1.00 0.00 N ATOM 0 H LYS A 99 6.379 4.239 -3.367 1.00 0.00 H new ATOM 0 HA LYS A 99 8.731 2.680 -3.877 1.00 0.00 H new ATOM 0 HB2 LYS A 99 5.871 2.106 -3.064 1.00 0.00 H new ATOM 0 HB3 LYS A 99 7.048 0.834 -3.322 1.00 0.00 H new ATOM 0 HG2 LYS A 99 7.331 3.075 -1.291 1.00 0.00 H new ATOM 0 HG3 LYS A 99 6.772 1.454 -0.929 1.00 0.00 H new ATOM 0 HD2 LYS A 99 9.527 2.197 -2.022 1.00 0.00 H new ATOM 0 HD3 LYS A 99 9.173 1.688 -0.382 1.00 0.00 H new ATOM 0 HE2 LYS A 99 8.355 -0.503 -1.237 1.00 0.00 H new ATOM 0 HE3 LYS A 99 8.705 0.006 -2.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 10.628 -0.995 -2.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 11.058 0.414 -1.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.479 -0.939 -0.824 1.00 0.00 H new ATOM 610 N GLY A 100 6.649 3.044 -6.199 1.00 0.00 N ATOM 611 CA GLY A 100 6.350 2.711 -7.571 1.00 0.00 C ATOM 612 C GLY A 100 5.333 1.604 -7.703 1.00 0.00 C ATOM 613 O GLY A 100 5.257 0.943 -8.742 1.00 0.00 O ATOM 0 H GLY A 100 6.250 3.928 -5.883 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.979 3.600 -8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 100 7.269 2.414 -8.075 1.00 0.00 H new ATOM 617 N TYR A 101 4.550 1.383 -6.665 1.00 0.00 N ATOM 618 CA TYR A 101 3.550 0.347 -6.733 1.00 0.00 C ATOM 619 C TYR A 101 2.361 0.806 -7.538 1.00 0.00 C ATOM 620 O TYR A 101 1.901 1.947 -7.411 1.00 0.00 O ATOM 621 CB TYR A 101 3.087 -0.118 -5.363 1.00 0.00 C ATOM 622 CG TYR A 101 4.150 -0.733 -4.496 1.00 0.00 C ATOM 623 CD1 TYR A 101 5.018 -1.701 -4.992 1.00 0.00 C ATOM 624 CD2 TYR A 101 4.261 -0.370 -3.170 1.00 0.00 C ATOM 625 CE1 TYR A 101 5.973 -2.288 -4.184 1.00 0.00 C ATOM 626 CE2 TYR A 101 5.215 -0.947 -2.355 1.00 0.00 C ATOM 627 CZ TYR A 101 6.070 -1.907 -2.869 1.00 0.00 C ATOM 628 OH TYR A 101 7.009 -2.494 -2.047 1.00 0.00 O ATOM 0 H TYR A 101 4.588 1.897 -5.785 1.00 0.00 H new ATOM 0 HA TYR A 101 4.024 -0.503 -7.225 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.659 0.734 -4.835 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.286 -0.845 -5.497 1.00 0.00 H new ATOM 0 HD1 TYR A 101 4.944 -1.999 -6.027 1.00 0.00 H new ATOM 0 HD2 TYR A 101 3.593 0.375 -2.764 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.637 -3.040 -4.584 1.00 0.00 H new ATOM 0 HE2 TYR A 101 5.294 -0.650 -1.320 1.00 0.00 H new ATOM 0 HH TYR A 101 7.886 -2.473 -2.484 1.00 0.00 H new ATOM 638 N THR A 102 1.878 -0.066 -8.368 1.00 0.00 N ATOM 639 CA THR A 102 0.749 0.213 -9.173 1.00 0.00 C ATOM 640 C THR A 102 -0.503 -0.410 -8.550 1.00 0.00 C ATOM 641 O THR A 102 -0.430 -1.456 -7.885 1.00 0.00 O ATOM 642 CB THR A 102 0.970 -0.322 -10.600 1.00 0.00 C ATOM 643 OG1 THR A 102 1.376 -1.692 -10.533 1.00 0.00 O ATOM 644 CG2 THR A 102 2.035 0.490 -11.328 1.00 0.00 C ATOM 0 H THR A 102 2.267 -0.999 -8.501 1.00 0.00 H new ATOM 0 HA THR A 102 0.608 1.292 -9.229 1.00 0.00 H new ATOM 0 HB THR A 102 0.035 -0.235 -11.153 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.516 -2.036 -11.440 1.00 0.00 H new ATOM 0 HG21 THR A 102 2.172 0.092 -12.333 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.719 1.531 -11.390 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.976 0.428 -10.782 1.00 0.00 H new ATOM 652 N LEU A 103 -1.637 0.233 -8.774 1.00 0.00 N ATOM 653 CA LEU A 103 -2.938 -0.193 -8.241 1.00 0.00 C ATOM 654 C LEU A 103 -3.285 -1.648 -8.614 1.00 0.00 C ATOM 655 O LEU A 103 -3.898 -2.361 -7.842 1.00 0.00 O ATOM 656 CB LEU A 103 -4.024 0.749 -8.759 1.00 0.00 C ATOM 657 CG LEU A 103 -5.453 0.455 -8.311 1.00 0.00 C ATOM 658 CD1 LEU A 103 -5.593 0.600 -6.805 1.00 0.00 C ATOM 659 CD2 LEU A 103 -6.426 1.356 -9.043 1.00 0.00 C ATOM 0 H LEU A 103 -1.689 1.080 -9.339 1.00 0.00 H new ATOM 0 HA LEU A 103 -2.880 -0.150 -7.153 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.772 1.763 -8.449 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -3.998 0.733 -9.849 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.689 -0.579 -8.562 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.621 0.385 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -4.921 -0.099 -6.308 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.338 1.619 -6.512 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.442 1.137 -8.715 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.191 2.398 -8.825 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.346 1.182 -10.116 1.00 0.00 H new ATOM 671 N THR A 104 -2.856 -2.076 -9.777 1.00 0.00 N ATOM 672 CA THR A 104 -3.149 -3.417 -10.252 1.00 0.00 C ATOM 673 C THR A 104 -2.408 -4.488 -9.412 1.00 0.00 C ATOM 674 O THR A 104 -2.892 -5.606 -9.248 1.00 0.00 O ATOM 675 CB THR A 104 -2.822 -3.550 -11.771 1.00 0.00 C ATOM 676 OG1 THR A 104 -3.074 -4.871 -12.252 1.00 0.00 O ATOM 677 CG2 THR A 104 -1.382 -3.144 -12.065 1.00 0.00 C ATOM 0 H THR A 104 -2.298 -1.514 -10.420 1.00 0.00 H new ATOM 0 HA THR A 104 -4.217 -3.593 -10.126 1.00 0.00 H new ATOM 0 HB THR A 104 -3.487 -2.867 -12.300 1.00 0.00 H new ATOM 0 HG1 THR A 104 -2.860 -4.918 -13.207 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.185 -3.248 -13.132 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.228 -2.107 -11.767 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.702 -3.787 -11.506 1.00 0.00 H new ATOM 685 N GLN A 105 -1.261 -4.122 -8.852 1.00 0.00 N ATOM 686 CA GLN A 105 -0.482 -5.036 -8.034 1.00 0.00 C ATOM 687 C GLN A 105 -0.979 -5.022 -6.599 1.00 0.00 C ATOM 688 O GLN A 105 -0.744 -5.961 -5.838 1.00 0.00 O ATOM 689 CB GLN A 105 1.011 -4.703 -8.092 1.00 0.00 C ATOM 690 CG GLN A 105 1.630 -4.837 -9.478 1.00 0.00 C ATOM 691 CD GLN A 105 1.529 -6.244 -10.069 1.00 0.00 C ATOM 692 OE1 GLN A 105 1.571 -7.262 -9.237 1.00 0.00 O flip ATOM 693 NE2 GLN A 105 1.440 -6.404 -11.270 1.00 0.00 N flip ATOM 0 H GLN A 105 -0.851 -3.194 -8.952 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.613 -6.040 -8.438 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.158 -3.682 -7.739 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.545 -5.358 -7.404 1.00 0.00 H new ATOM 0 HG2 GLN A 105 1.141 -4.134 -10.153 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.680 -4.550 -9.425 1.00 0.00 H new ATOM 0 HE21 GLN A 105 1.409 -5.596 -11.891 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.396 -7.347 -11.657 1.00 0.00 H new ATOM 702 N LEU A 106 -1.669 -3.941 -6.241 1.00 0.00 N ATOM 703 CA LEU A 106 -2.196 -3.722 -4.891 1.00 0.00 C ATOM 704 C LEU A 106 -3.066 -4.895 -4.430 1.00 0.00 C ATOM 705 O LEU A 106 -3.017 -5.310 -3.261 1.00 0.00 O ATOM 706 CB LEU A 106 -3.025 -2.435 -4.859 1.00 0.00 C ATOM 707 CG LEU A 106 -3.564 -2.015 -3.499 1.00 0.00 C ATOM 708 CD1 LEU A 106 -2.433 -1.622 -2.588 1.00 0.00 C ATOM 709 CD2 LEU A 106 -4.556 -0.885 -3.640 1.00 0.00 C ATOM 0 H LEU A 106 -1.882 -3.181 -6.887 1.00 0.00 H new ATOM 0 HA LEU A 106 -1.347 -3.637 -4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -2.412 -1.623 -5.250 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.868 -2.554 -5.540 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.084 -2.865 -3.057 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.833 -1.324 -1.619 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.760 -2.469 -2.458 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -1.886 -0.788 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.928 -0.602 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.068 -0.028 -4.104 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -5.390 -1.208 -4.263 1.00 0.00 H new ATOM 721 N SER A 107 -3.814 -5.453 -5.361 1.00 0.00 N ATOM 722 CA SER A 107 -4.715 -6.539 -5.072 1.00 0.00 C ATOM 723 C SER A 107 -3.929 -7.820 -4.697 1.00 0.00 C ATOM 724 O SER A 107 -4.429 -8.676 -3.966 1.00 0.00 O ATOM 725 CB SER A 107 -5.653 -6.777 -6.266 1.00 0.00 C ATOM 726 OG SER A 107 -6.705 -7.674 -5.937 1.00 0.00 O ATOM 0 H SER A 107 -3.811 -5.162 -6.339 1.00 0.00 H new ATOM 0 HA SER A 107 -5.327 -6.272 -4.211 1.00 0.00 H new ATOM 0 HB2 SER A 107 -6.074 -5.826 -6.593 1.00 0.00 H new ATOM 0 HB3 SER A 107 -5.082 -7.178 -7.103 1.00 0.00 H new ATOM 0 HG SER A 107 -7.283 -7.801 -6.718 1.00 0.00 H new ATOM 732 N ASP A 108 -2.687 -7.933 -5.160 1.00 0.00 N ATOM 733 CA ASP A 108 -1.861 -9.084 -4.810 1.00 0.00 C ATOM 734 C ASP A 108 -1.201 -8.867 -3.462 1.00 0.00 C ATOM 735 O ASP A 108 -0.990 -9.818 -2.687 1.00 0.00 O ATOM 736 CB ASP A 108 -0.797 -9.395 -5.875 1.00 0.00 C ATOM 737 CG ASP A 108 0.124 -10.523 -5.427 1.00 0.00 C ATOM 738 OD1 ASP A 108 -0.344 -11.689 -5.323 1.00 0.00 O ATOM 739 OD2 ASP A 108 1.285 -10.254 -5.072 1.00 0.00 O ATOM 0 H ASP A 108 -2.235 -7.252 -5.770 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.525 -9.947 -4.758 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -1.285 -9.671 -6.810 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.208 -8.500 -6.075 1.00 0.00 H new ATOM 744 N PHE A 109 -0.906 -7.624 -3.175 1.00 0.00 N ATOM 745 CA PHE A 109 -0.280 -7.258 -1.924 1.00 0.00 C ATOM 746 C PHE A 109 -1.246 -7.408 -0.768 1.00 0.00 C ATOM 747 O PHE A 109 -0.929 -8.007 0.266 1.00 0.00 O ATOM 748 CB PHE A 109 0.223 -5.814 -1.956 1.00 0.00 C ATOM 749 CG PHE A 109 1.273 -5.508 -2.981 1.00 0.00 C ATOM 750 CD1 PHE A 109 2.304 -6.386 -3.220 1.00 0.00 C ATOM 751 CD2 PHE A 109 1.242 -4.318 -3.677 1.00 0.00 C ATOM 752 CE1 PHE A 109 3.284 -6.097 -4.137 1.00 0.00 C ATOM 753 CE2 PHE A 109 2.213 -4.017 -4.602 1.00 0.00 C ATOM 754 CZ PHE A 109 3.240 -4.909 -4.835 1.00 0.00 C ATOM 0 H PHE A 109 -1.091 -6.838 -3.798 1.00 0.00 H new ATOM 0 HA PHE A 109 0.565 -7.932 -1.784 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.629 -5.157 -2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 109 0.621 -5.567 -0.972 1.00 0.00 H new ATOM 0 HD1 PHE A 109 2.343 -7.319 -2.677 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.444 -3.613 -3.493 1.00 0.00 H new ATOM 0 HE1 PHE A 109 4.087 -6.798 -4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.172 -3.084 -5.145 1.00 0.00 H new ATOM 0 HZ PHE A 109 4.006 -4.677 -5.561 1.00 0.00 H new ATOM 764 N LEU A 110 -2.415 -6.868 -0.940 1.00 0.00 N ATOM 765 CA LEU A 110 -3.400 -6.862 0.106 1.00 0.00 C ATOM 766 C LEU A 110 -4.261 -8.119 0.098 1.00 0.00 C ATOM 767 O LEU A 110 -4.473 -8.718 1.146 1.00 0.00 O ATOM 768 CB LEU A 110 -4.245 -5.568 0.063 1.00 0.00 C ATOM 769 CG LEU A 110 -3.608 -4.275 0.678 1.00 0.00 C ATOM 770 CD1 LEU A 110 -2.236 -3.965 0.105 1.00 0.00 C ATOM 771 CD2 LEU A 110 -4.524 -3.087 0.457 1.00 0.00 C ATOM 0 H LEU A 110 -2.715 -6.420 -1.806 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.868 -6.872 1.057 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.492 -5.360 -0.978 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -5.184 -5.761 0.581 1.00 0.00 H new ATOM 0 HG LEU A 110 -3.483 -4.464 1.744 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.844 -3.059 0.568 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -1.561 -4.797 0.307 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.317 -3.816 -0.972 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -4.072 -2.194 0.888 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.674 -2.938 -0.612 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -5.485 -3.275 0.936 1.00 0.00 H new ATOM 783 N LYS A 111 -4.647 -8.555 -1.085 1.00 0.00 N ATOM 784 CA LYS A 111 -5.573 -9.685 -1.290 1.00 0.00 C ATOM 785 C LYS A 111 -6.996 -9.325 -0.905 1.00 0.00 C ATOM 786 O LYS A 111 -7.544 -9.777 0.122 1.00 0.00 O ATOM 787 CB LYS A 111 -5.117 -11.033 -0.669 1.00 0.00 C ATOM 788 CG LYS A 111 -3.835 -11.604 -1.267 1.00 0.00 C ATOM 789 CD LYS A 111 -3.983 -11.887 -2.758 1.00 0.00 C ATOM 790 CE LYS A 111 -2.685 -12.407 -3.339 1.00 0.00 C ATOM 791 NZ LYS A 111 -2.740 -12.546 -4.813 1.00 0.00 N ATOM 0 H LYS A 111 -4.327 -8.134 -1.957 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.551 -9.868 -2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -4.973 -10.894 0.402 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.917 -11.764 -0.791 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -3.016 -10.902 -1.110 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -3.570 -12.524 -0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.776 -12.618 -2.917 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.280 -10.976 -3.278 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -1.874 -11.730 -3.071 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.453 -13.375 -2.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -2.656 -13.550 -5.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.645 -12.173 -5.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -1.957 -12.012 -5.241 1.00 0.00 H new ATOM 905 N TYR A 118 -9.350 -4.817 3.650 1.00 0.00 N ATOM 906 CA TYR A 118 -8.499 -3.669 3.562 1.00 0.00 C ATOM 907 C TYR A 118 -9.300 -2.492 3.098 1.00 0.00 C ATOM 908 O TYR A 118 -8.769 -1.579 2.509 1.00 0.00 O ATOM 909 CB TYR A 118 -7.337 -3.972 2.625 1.00 0.00 C ATOM 910 CG TYR A 118 -6.345 -4.965 3.202 1.00 0.00 C ATOM 911 CD1 TYR A 118 -5.293 -4.533 4.001 1.00 0.00 C ATOM 912 CD2 TYR A 118 -6.456 -6.322 2.955 1.00 0.00 C ATOM 913 CE1 TYR A 118 -4.383 -5.421 4.531 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.553 -7.216 3.485 1.00 0.00 C ATOM 915 CZ TYR A 118 -4.519 -6.763 4.270 1.00 0.00 C ATOM 916 OH TYR A 118 -3.600 -7.663 4.785 1.00 0.00 O ATOM 0 HA TYR A 118 -8.084 -3.426 4.540 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.729 -4.364 1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.817 -3.043 2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.187 -3.479 4.211 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -7.264 -6.685 2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.570 -5.065 5.146 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.657 -8.272 3.284 1.00 0.00 H new ATOM 0 HH TYR A 118 -3.954 -8.573 4.705 1.00 0.00 H new ATOM 926 N ASP A 119 -10.582 -2.534 3.419 1.00 0.00 N ATOM 927 CA ASP A 119 -11.618 -1.571 2.975 1.00 0.00 C ATOM 928 C ASP A 119 -11.116 -0.119 2.862 1.00 0.00 C ATOM 929 O ASP A 119 -11.043 0.437 1.757 1.00 0.00 O ATOM 930 CB ASP A 119 -12.780 -1.614 3.966 1.00 0.00 C ATOM 931 CG ASP A 119 -13.931 -0.763 3.531 1.00 0.00 C ATOM 932 OD1 ASP A 119 -14.730 -1.244 2.725 1.00 0.00 O ATOM 933 OD2 ASP A 119 -14.029 0.402 3.950 1.00 0.00 O ATOM 0 H ASP A 119 -10.962 -3.265 4.021 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.921 -1.874 1.973 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -13.117 -2.644 4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.433 -1.279 4.944 1.00 0.00 H new ATOM 938 N ARG A 120 -10.707 0.448 3.991 1.00 0.00 N ATOM 939 CA ARG A 120 -10.251 1.835 4.051 1.00 0.00 C ATOM 940 C ARG A 120 -8.979 2.069 3.234 1.00 0.00 C ATOM 941 O ARG A 120 -8.844 3.075 2.547 1.00 0.00 O ATOM 942 CB ARG A 120 -9.996 2.255 5.506 1.00 0.00 C ATOM 943 CG ARG A 120 -9.595 3.721 5.634 1.00 0.00 C ATOM 944 CD ARG A 120 -9.367 4.132 7.068 1.00 0.00 C ATOM 945 NE ARG A 120 -10.610 4.165 7.879 1.00 0.00 N ATOM 946 CZ ARG A 120 -10.655 4.511 9.189 1.00 0.00 C ATOM 947 NH1 ARG A 120 -9.526 4.698 9.864 1.00 0.00 N ATOM 948 NH2 ARG A 120 -11.829 4.623 9.821 1.00 0.00 N ATOM 0 H ARG A 120 -10.681 -0.037 4.888 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.047 2.442 3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -10.896 2.076 6.094 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.210 1.629 5.928 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -8.686 3.898 5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.374 4.347 5.199 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -8.661 3.441 7.528 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -8.905 5.119 7.086 1.00 0.00 H new ATOM 0 HE ARG A 120 -11.486 3.911 7.422 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -8.627 4.581 9.397 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -9.558 4.958 10.850 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -12.698 4.448 9.317 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -11.855 4.884 10.807 1.00 0.00 H new ATOM 962 N VAL A 121 -8.079 1.129 3.285 1.00 0.00 N ATOM 963 CA VAL A 121 -6.777 1.324 2.702 1.00 0.00 C ATOM 964 C VAL A 121 -6.732 1.025 1.183 1.00 0.00 C ATOM 965 O VAL A 121 -6.073 1.740 0.424 1.00 0.00 O ATOM 966 CB VAL A 121 -5.674 0.545 3.484 1.00 0.00 C ATOM 967 CG1 VAL A 121 -5.873 -0.940 3.454 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.329 0.895 2.971 1.00 0.00 C ATOM 0 H VAL A 121 -8.220 0.219 3.724 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.561 2.388 2.798 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.756 0.852 4.527 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -5.074 -1.426 4.015 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.835 -1.187 3.904 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.855 -1.289 2.421 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.572 0.343 3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.264 0.635 1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.160 1.965 3.093 1.00 0.00 H new ATOM 978 N TYR A 122 -7.469 0.016 0.758 1.00 0.00 N ATOM 979 CA TYR A 122 -7.483 -0.415 -0.635 1.00 0.00 C ATOM 980 C TYR A 122 -8.046 0.692 -1.529 1.00 0.00 C ATOM 981 O TYR A 122 -7.411 1.106 -2.507 1.00 0.00 O ATOM 982 CB TYR A 122 -8.303 -1.712 -0.762 1.00 0.00 C ATOM 983 CG TYR A 122 -8.352 -2.301 -2.152 1.00 0.00 C ATOM 984 CD1 TYR A 122 -7.335 -3.126 -2.618 1.00 0.00 C ATOM 985 CD2 TYR A 122 -9.416 -2.034 -2.995 1.00 0.00 C ATOM 986 CE1 TYR A 122 -7.382 -3.667 -3.886 1.00 0.00 C ATOM 987 CE2 TYR A 122 -9.475 -2.568 -4.258 1.00 0.00 C ATOM 988 CZ TYR A 122 -8.453 -3.387 -4.706 1.00 0.00 C ATOM 989 OH TYR A 122 -8.508 -3.932 -5.973 1.00 0.00 O ATOM 0 H TYR A 122 -8.077 -0.531 1.367 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.464 -0.617 -0.965 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.886 -2.456 -0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.322 -1.514 -0.431 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -6.494 -3.347 -1.977 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.215 -1.393 -2.653 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -6.584 -4.306 -4.234 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -10.316 -2.350 -4.900 1.00 0.00 H new ATOM 0 HH TYR A 122 -9.328 -3.637 -6.421 1.00 0.00 H new ATOM 999 N ASN A 123 -9.224 1.184 -1.166 1.00 0.00 N ATOM 1000 CA ASN A 123 -9.865 2.287 -1.890 1.00 0.00 C ATOM 1001 C ASN A 123 -8.985 3.533 -1.784 1.00 0.00 C ATOM 1002 O ASN A 123 -8.891 4.304 -2.728 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.288 2.560 -1.324 1.00 0.00 C ATOM 1004 CG ASN A 123 -12.180 3.550 -2.139 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -13.399 3.393 -2.173 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -11.618 4.565 -2.762 1.00 0.00 N ATOM 0 H ASN A 123 -9.761 0.838 -0.371 1.00 0.00 H new ATOM 0 HA ASN A 123 -9.976 2.017 -2.940 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -11.814 1.608 -1.249 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.184 2.948 -0.311 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -12.195 5.229 -3.278 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -10.606 4.687 -2.728 1.00 0.00 H new ATOM 1013 N GLY A 124 -8.319 3.691 -0.647 1.00 0.00 N ATOM 1014 CA GLY A 124 -7.434 4.823 -0.437 1.00 0.00 C ATOM 1015 C GLY A 124 -6.320 4.884 -1.471 1.00 0.00 C ATOM 1016 O GLY A 124 -6.056 5.940 -2.047 1.00 0.00 O ATOM 0 H GLY A 124 -8.377 3.048 0.142 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -8.013 5.746 -0.475 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -6.998 4.761 0.560 1.00 0.00 H new ATOM 1020 N TYR A 125 -5.682 3.752 -1.734 1.00 0.00 N ATOM 1021 CA TYR A 125 -4.610 3.712 -2.723 1.00 0.00 C ATOM 1022 C TYR A 125 -5.130 3.875 -4.139 1.00 0.00 C ATOM 1023 O TYR A 125 -4.397 4.291 -5.032 1.00 0.00 O ATOM 1024 CB TYR A 125 -3.725 2.476 -2.599 1.00 0.00 C ATOM 1025 CG TYR A 125 -2.911 2.430 -1.329 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.157 3.525 -0.917 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -2.888 1.297 -0.551 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.413 3.483 0.242 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -2.144 1.245 0.605 1.00 0.00 C ATOM 1030 CZ TYR A 125 -1.413 2.340 0.999 1.00 0.00 C ATOM 1031 OH TYR A 125 -0.683 2.289 2.165 1.00 0.00 O ATOM 0 H TYR A 125 -5.883 2.859 -1.284 1.00 0.00 H new ATOM 0 HA TYR A 125 -3.977 4.572 -2.501 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.352 1.586 -2.649 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -3.049 2.438 -3.453 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.155 4.423 -1.516 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -3.463 0.434 -0.852 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.836 4.342 0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -2.134 0.345 1.202 1.00 0.00 H new ATOM 0 HH TYR A 125 0.179 1.856 1.992 1.00 0.00 H new ATOM 1041 N MET A 126 -6.391 3.559 -4.350 1.00 0.00 N ATOM 1042 CA MET A 126 -6.998 3.792 -5.649 1.00 0.00 C ATOM 1043 C MET A 126 -7.058 5.289 -5.880 1.00 0.00 C ATOM 1044 O MET A 126 -6.687 5.774 -6.932 1.00 0.00 O ATOM 1045 CB MET A 126 -8.411 3.207 -5.727 1.00 0.00 C ATOM 1046 CG MET A 126 -9.051 3.330 -7.110 1.00 0.00 C ATOM 1047 SD MET A 126 -10.757 2.744 -7.156 1.00 0.00 S ATOM 1048 CE MET A 126 -11.574 4.039 -6.224 1.00 0.00 C ATOM 0 H MET A 126 -7.010 3.146 -3.652 1.00 0.00 H new ATOM 0 HA MET A 126 -6.396 3.300 -6.413 1.00 0.00 H new ATOM 0 HB2 MET A 126 -8.375 2.155 -5.445 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.044 3.711 -4.997 1.00 0.00 H new ATOM 0 HG2 MET A 126 -9.023 4.373 -7.425 1.00 0.00 H new ATOM 0 HG3 MET A 126 -8.459 2.764 -7.829 1.00 0.00 H new ATOM 0 HE1 MET A 126 -11.978 3.623 -5.301 1.00 0.00 H new ATOM 0 HE2 MET A 126 -10.856 4.824 -5.985 1.00 0.00 H new ATOM 0 HE3 MET A 126 -12.385 4.459 -6.819 1.00 0.00 H new ATOM 1058 N THR A 127 -7.422 5.996 -4.828 1.00 0.00 N ATOM 1059 CA THR A 127 -7.594 7.422 -4.851 1.00 0.00 C ATOM 1060 C THR A 127 -6.290 8.212 -5.136 1.00 0.00 C ATOM 1061 O THR A 127 -6.342 9.359 -5.583 1.00 0.00 O ATOM 1062 CB THR A 127 -8.325 7.875 -3.567 1.00 0.00 C ATOM 1063 OG1 THR A 127 -9.559 7.140 -3.508 1.00 0.00 O ATOM 1064 CG2 THR A 127 -8.653 9.367 -3.582 1.00 0.00 C ATOM 0 H THR A 127 -7.609 5.578 -3.916 1.00 0.00 H new ATOM 0 HA THR A 127 -8.223 7.667 -5.707 1.00 0.00 H new ATOM 0 HB THR A 127 -7.680 7.690 -2.708 1.00 0.00 H new ATOM 0 HG1 THR A 127 -9.376 6.215 -3.242 1.00 0.00 H new ATOM 0 HG21 THR A 127 -9.166 9.636 -2.659 1.00 0.00 H new ATOM 0 HG22 THR A 127 -7.730 9.942 -3.665 1.00 0.00 H new ATOM 0 HG23 THR A 127 -9.297 9.589 -4.433 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.100 7.612 -4.937 1.00 0.00 N ATOM 1073 CA TYR A 128 -3.916 8.364 -5.331 1.00 0.00 C ATOM 1074 C TYR A 128 -3.793 8.369 -6.838 1.00 0.00 C ATOM 1075 O TYR A 128 -3.265 9.279 -7.397 1.00 0.00 O ATOM 1076 CB TYR A 128 -2.565 7.975 -4.633 1.00 0.00 C ATOM 1077 CG TYR A 128 -1.923 6.614 -4.971 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -1.393 6.346 -6.237 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -1.825 5.621 -4.016 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -0.811 5.127 -6.533 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -1.238 4.398 -4.306 1.00 0.00 C ATOM 1082 CZ TYR A 128 -0.738 4.156 -5.566 1.00 0.00 C ATOM 1083 OH TYR A 128 -0.182 2.924 -5.863 1.00 0.00 O ATOM 0 H TYR A 128 -4.946 6.686 -4.539 1.00 0.00 H new ATOM 0 HA TYR A 128 -4.088 9.373 -4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -1.837 8.751 -4.867 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -2.729 8.005 -3.556 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -1.439 7.108 -7.001 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -2.213 5.800 -3.024 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -0.416 4.940 -7.521 1.00 0.00 H new ATOM 0 HE2 TYR A 128 -1.173 3.636 -3.544 1.00 0.00 H new ATOM 0 HH TYR A 128 0.570 3.045 -6.480 1.00 0.00 H new ATOM 1093 N ARG A 129 -4.388 7.370 -7.474 1.00 0.00 N ATOM 1094 CA ARG A 129 -4.364 7.228 -8.926 1.00 0.00 C ATOM 1095 C ARG A 129 -5.416 8.091 -9.580 1.00 0.00 C ATOM 1096 O ARG A 129 -5.473 8.192 -10.802 1.00 0.00 O ATOM 1097 CB ARG A 129 -4.526 5.761 -9.321 1.00 0.00 C ATOM 1098 CG ARG A 129 -3.258 4.946 -9.143 1.00 0.00 C ATOM 1099 CD ARG A 129 -2.443 4.878 -10.439 1.00 0.00 C ATOM 1100 NE ARG A 129 -2.207 6.185 -11.081 1.00 0.00 N ATOM 1101 CZ ARG A 129 -2.303 6.424 -12.402 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -2.683 5.448 -13.242 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -2.037 7.620 -12.880 1.00 0.00 N ATOM 0 H ARG A 129 -4.904 6.631 -6.997 1.00 0.00 H new ATOM 0 HA ARG A 129 -3.394 7.573 -9.285 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -5.322 5.317 -8.723 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -4.842 5.706 -10.363 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -2.650 5.387 -8.353 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -3.516 3.937 -8.822 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -1.481 4.413 -10.224 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -2.960 4.228 -11.145 1.00 0.00 H new ATOM 0 HE ARG A 129 -1.952 6.967 -10.478 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -2.901 4.520 -12.880 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -2.754 5.635 -14.242 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -1.757 8.371 -12.249 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -2.111 7.797 -13.882 1.00 0.00 H new ATOM 1117 N ASP A 130 -6.250 8.700 -8.755 1.00 0.00 N ATOM 1118 CA ASP A 130 -7.243 9.649 -9.229 1.00 0.00 C ATOM 1119 C ASP A 130 -6.593 11.015 -9.382 1.00 0.00 C ATOM 1120 O ASP A 130 -7.167 11.933 -9.972 1.00 0.00 O ATOM 1121 CB ASP A 130 -8.455 9.771 -8.264 1.00 0.00 C ATOM 1122 CG ASP A 130 -9.344 8.534 -8.182 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -10.103 8.281 -9.133 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -9.321 7.839 -7.133 1.00 0.00 O ATOM 0 H ASP A 130 -6.259 8.553 -7.746 1.00 0.00 H new ATOM 0 HA ASP A 130 -7.617 9.283 -10.185 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -8.083 9.999 -7.265 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -9.065 10.618 -8.577 1.00 0.00 H new ATOM 1129 N TYR A 131 -5.386 11.165 -8.820 1.00 0.00 N ATOM 1130 CA TYR A 131 -4.685 12.444 -8.884 1.00 0.00 C ATOM 1131 C TYR A 131 -3.261 12.295 -9.425 1.00 0.00 C ATOM 1132 O TYR A 131 -2.727 13.215 -10.039 1.00 0.00 O ATOM 1133 CB TYR A 131 -4.658 13.119 -7.501 1.00 0.00 C ATOM 1134 CG TYR A 131 -6.034 13.373 -6.917 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -6.862 14.355 -7.444 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -6.509 12.615 -5.854 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -8.122 14.577 -6.925 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -7.769 12.830 -5.331 1.00 0.00 C ATOM 1139 CZ TYR A 131 -8.571 13.812 -5.869 1.00 0.00 C ATOM 1140 OH TYR A 131 -9.829 14.028 -5.355 1.00 0.00 O ATOM 0 H TYR A 131 -4.885 10.427 -8.325 1.00 0.00 H new ATOM 0 HA TYR A 131 -5.237 13.076 -9.580 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -4.091 12.492 -6.812 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -4.126 14.067 -7.580 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -6.515 14.954 -8.273 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -5.882 11.845 -5.429 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -8.753 15.346 -7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 131 -8.123 12.231 -4.505 1.00 0.00 H new ATOM 0 HH TYR A 131 -9.992 13.405 -4.616 1.00 0.00 H new ATOM 1150 N VAL A 132 -2.656 11.159 -9.167 1.00 0.00 N ATOM 1151 CA VAL A 132 -1.306 10.867 -9.583 1.00 0.00 C ATOM 1152 C VAL A 132 -1.334 9.619 -10.451 1.00 0.00 C ATOM 1153 O VAL A 132 -1.219 9.739 -11.671 1.00 0.00 O ATOM 1154 CB VAL A 132 -0.359 10.628 -8.361 1.00 0.00 C ATOM 1155 CG1 VAL A 132 1.076 10.381 -8.816 1.00 0.00 C ATOM 1156 CG2 VAL A 132 -0.412 11.800 -7.384 1.00 0.00 C ATOM 1157 OXT VAL A 132 -1.548 8.498 -9.913 1.00 0.00 O ATOM 0 H VAL A 132 -3.098 10.398 -8.652 1.00 0.00 H new ATOM 0 HA VAL A 132 -0.919 11.723 -10.136 1.00 0.00 H new ATOM 0 HB VAL A 132 -0.713 9.736 -7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 132 1.711 10.218 -7.945 1.00 0.00 H new ATOM 0 HG12 VAL A 132 1.108 9.501 -9.458 1.00 0.00 H new ATOM 0 HG13 VAL A 132 1.436 11.248 -9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 132 0.256 11.605 -6.545 1.00 0.00 H new ATOM 0 HG22 VAL A 132 -0.100 12.712 -7.893 1.00 0.00 H new ATOM 0 HG23 VAL A 132 -1.431 11.921 -7.016 1.00 0.00 H new