USER MOD reduce.3.24.130724 H: found=0, std=0, add=452, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 454 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 125 TYR OH : rot -93:sc= 0.431 USER MOD Set 1.2: A 128 TYR OH : rot 179:sc= -2.36! USER MOD Set 2.1: A 107 SER OG : rot 65:sc= 1.72 USER MOD Set 2.2: A 122 TYR OH : rot 21:sc= 0.966 USER MOD Set 3.1: A 76 LYS NZ :NH3+ 169:sc= 1.19 (180deg=0.262) USER MOD Set 3.2: A 118 TYR OH : rot 150:sc= 0.642 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -167:sc= -0.72 (180deg=-0.855) USER MOD Single : A 78 MET CE :methyl -155:sc= -1.27 (180deg=-1.97!) USER MOD Single : A 80 LYS NZ :NH3+ 169:sc= -0.0136 (180deg=-0.214) USER MOD Single : A 83 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 104:sc= 1.24 USER MOD Single : A 88 LYS NZ :NH3+ -168:sc= 1.93 (180deg=1.19) USER MOD Single : A 93 TYR OH : rot 180:sc= -0.0128 USER MOD Single : A 94 GLN :FLIP amide:sc= -0.585 F(o=-2!,f=-0.59) USER MOD Single : A 95 LYS NZ :NH3+ -155:sc= 0.858 (180deg=0.0943) USER MOD Single : A 99 LYS NZ :NH3+ -132:sc= -0.316! (180deg=-2.53!) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.56) USER MOD Single : A 111 LYS NZ :NH3+ 176:sc= 1.01 (180deg=0.929) USER MOD Single : A 123 ASN : amide:sc= -0.152! X(o=-0.15!,f=-0.11) USER MOD Single : A 126 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 127 THR OG1 : rot 95:sc= 1.04 USER MOD Single : A 131 TYR OH : rot 67:sc= 1.28 USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 71 8.233 -8.547 -0.029 1.00 0.00 N ATOM 152 CA GLU A 71 7.759 -7.824 1.154 1.00 0.00 C ATOM 153 C GLU A 71 6.355 -7.332 1.096 1.00 0.00 C ATOM 154 O GLU A 71 6.078 -6.144 1.240 1.00 0.00 O ATOM 155 CB GLU A 71 8.725 -6.800 1.729 1.00 0.00 C ATOM 156 CG GLU A 71 9.358 -7.259 3.045 1.00 0.00 C ATOM 157 CD GLU A 71 8.324 -7.551 4.162 1.00 0.00 C ATOM 158 OE1 GLU A 71 7.365 -8.322 3.926 1.00 0.00 O ATOM 159 OE2 GLU A 71 8.412 -6.943 5.272 1.00 0.00 O ATOM 0 HA GLU A 71 7.734 -8.627 1.891 1.00 0.00 H new ATOM 0 HB2 GLU A 71 9.512 -6.601 1.002 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.197 -5.860 1.893 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.946 -8.158 2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.049 -6.492 3.393 1.00 0.00 H new ATOM 166 N LYS A 72 5.455 -8.268 0.907 1.00 0.00 N ATOM 167 CA LYS A 72 4.055 -7.960 0.936 1.00 0.00 C ATOM 168 C LYS A 72 3.669 -7.590 2.350 1.00 0.00 C ATOM 169 O LYS A 72 2.775 -6.800 2.563 1.00 0.00 O ATOM 170 CB LYS A 72 3.159 -9.120 0.423 1.00 0.00 C ATOM 171 CG LYS A 72 3.234 -10.422 1.242 1.00 0.00 C ATOM 172 CD LYS A 72 4.353 -11.362 0.789 1.00 0.00 C ATOM 173 CE LYS A 72 3.995 -12.028 -0.529 1.00 0.00 C ATOM 174 NZ LYS A 72 5.099 -12.854 -1.077 1.00 0.00 N ATOM 0 H LYS A 72 5.673 -9.249 0.732 1.00 0.00 H new ATOM 0 HA LYS A 72 3.887 -7.125 0.255 1.00 0.00 H new ATOM 0 HB2 LYS A 72 2.124 -8.778 0.409 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.436 -9.342 -0.608 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.382 -10.173 2.293 1.00 0.00 H new ATOM 0 HG3 LYS A 72 2.280 -10.944 1.169 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.282 -10.803 0.679 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.527 -12.122 1.551 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.115 -12.655 -0.386 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.726 -11.262 -1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.798 -13.283 -1.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 5.933 -12.254 -1.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.341 -13.604 -0.399 1.00 0.00 H new ATOM 188 N ALA A 73 4.407 -8.118 3.315 1.00 0.00 N ATOM 189 CA ALA A 73 4.113 -7.867 4.681 1.00 0.00 C ATOM 190 C ALA A 73 4.528 -6.462 5.041 1.00 0.00 C ATOM 191 O ALA A 73 3.891 -5.841 5.842 1.00 0.00 O ATOM 192 CB ALA A 73 4.771 -8.894 5.592 1.00 0.00 C ATOM 0 H ALA A 73 5.213 -8.723 3.156 1.00 0.00 H new ATOM 0 HA ALA A 73 3.037 -7.961 4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 73 4.524 -8.671 6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.408 -9.890 5.339 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.852 -8.857 5.460 1.00 0.00 H new ATOM 198 N ALA A 74 5.619 -5.973 4.446 1.00 0.00 N ATOM 199 CA ALA A 74 6.088 -4.588 4.666 1.00 0.00 C ATOM 200 C ALA A 74 5.072 -3.627 4.170 1.00 0.00 C ATOM 201 O ALA A 74 4.705 -2.674 4.865 1.00 0.00 O ATOM 202 CB ALA A 74 7.403 -4.312 3.966 1.00 0.00 C ATOM 0 H ALA A 74 6.201 -6.512 3.805 1.00 0.00 H new ATOM 0 HA ALA A 74 6.240 -4.467 5.739 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.707 -3.283 4.156 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.166 -4.992 4.344 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.283 -4.462 2.893 1.00 0.00 H new ATOM 208 N VAL A 75 4.597 -3.901 2.984 1.00 0.00 N ATOM 209 CA VAL A 75 3.584 -3.085 2.360 1.00 0.00 C ATOM 210 C VAL A 75 2.318 -3.089 3.226 1.00 0.00 C ATOM 211 O VAL A 75 1.728 -2.041 3.508 1.00 0.00 O ATOM 212 CB VAL A 75 3.268 -3.600 0.937 1.00 0.00 C ATOM 213 CG1 VAL A 75 2.235 -2.713 0.255 1.00 0.00 C ATOM 214 CG2 VAL A 75 4.554 -3.676 0.113 1.00 0.00 C ATOM 0 H VAL A 75 4.900 -4.696 2.421 1.00 0.00 H new ATOM 0 HA VAL A 75 3.955 -2.064 2.273 1.00 0.00 H new ATOM 0 HB VAL A 75 2.844 -4.601 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 75 2.030 -3.096 -0.745 1.00 0.00 H new ATOM 0 HG12 VAL A 75 1.315 -2.711 0.839 1.00 0.00 H new ATOM 0 HG13 VAL A 75 2.620 -1.696 0.182 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.324 -4.040 -0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.002 -2.684 0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.255 -4.358 0.594 1.00 0.00 H new ATOM 224 N LYS A 76 1.960 -4.264 3.710 1.00 0.00 N ATOM 225 CA LYS A 76 0.797 -4.417 4.547 1.00 0.00 C ATOM 226 C LYS A 76 0.968 -3.818 5.942 1.00 0.00 C ATOM 227 O LYS A 76 -0.019 -3.498 6.589 1.00 0.00 O ATOM 228 CB LYS A 76 0.342 -5.851 4.594 1.00 0.00 C ATOM 229 CG LYS A 76 -0.109 -6.316 3.229 1.00 0.00 C ATOM 230 CD LYS A 76 -0.586 -7.730 3.227 1.00 0.00 C ATOM 231 CE LYS A 76 -1.863 -7.882 4.011 1.00 0.00 C ATOM 232 NZ LYS A 76 -2.500 -9.205 3.822 1.00 0.00 N ATOM 0 H LYS A 76 2.467 -5.131 3.532 1.00 0.00 H new ATOM 0 HA LYS A 76 0.004 -3.833 4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 76 1.156 -6.484 4.948 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.476 -5.955 5.307 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.910 -5.667 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 76 0.717 -6.215 2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.746 -8.060 2.201 1.00 0.00 H new ATOM 0 HD3 LYS A 76 0.183 -8.375 3.653 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -1.653 -7.733 5.070 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.562 -7.101 3.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -3.263 -9.325 4.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.894 -9.266 2.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -1.790 -9.954 3.953 1.00 0.00 H new ATOM 246 N LYS A 77 2.221 -3.658 6.395 1.00 0.00 N ATOM 247 CA LYS A 77 2.510 -3.003 7.684 1.00 0.00 C ATOM 248 C LYS A 77 2.008 -1.572 7.623 1.00 0.00 C ATOM 249 O LYS A 77 1.308 -1.092 8.520 1.00 0.00 O ATOM 250 CB LYS A 77 4.039 -2.977 8.002 1.00 0.00 C ATOM 251 CG LYS A 77 4.702 -4.338 8.211 1.00 0.00 C ATOM 252 CD LYS A 77 6.224 -4.212 8.413 1.00 0.00 C ATOM 253 CE LYS A 77 6.925 -5.585 8.563 1.00 0.00 C ATOM 254 NZ LYS A 77 6.868 -6.434 7.327 1.00 0.00 N ATOM 0 H LYS A 77 3.050 -3.972 5.890 1.00 0.00 H new ATOM 0 HA LYS A 77 2.011 -3.572 8.469 1.00 0.00 H new ATOM 0 HB2 LYS A 77 4.551 -2.467 7.186 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.193 -2.378 8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 77 4.260 -4.827 9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 77 4.502 -4.975 7.350 1.00 0.00 H new ATOM 0 HD2 LYS A 77 6.656 -3.679 7.566 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.420 -3.610 9.301 1.00 0.00 H new ATOM 0 HE2 LYS A 77 7.969 -5.422 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.464 -6.129 9.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.154 -7.406 7.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 5.897 -6.439 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 7.513 -6.046 6.609 1.00 0.00 H new ATOM 268 N MET A 78 2.334 -0.914 6.525 1.00 0.00 N ATOM 269 CA MET A 78 1.965 0.468 6.338 1.00 0.00 C ATOM 270 C MET A 78 0.489 0.576 5.988 1.00 0.00 C ATOM 271 O MET A 78 -0.204 1.492 6.446 1.00 0.00 O ATOM 272 CB MET A 78 2.822 1.132 5.252 1.00 0.00 C ATOM 273 CG MET A 78 4.322 1.083 5.513 1.00 0.00 C ATOM 274 SD MET A 78 5.289 1.955 4.254 1.00 0.00 S ATOM 275 CE MET A 78 4.811 3.653 4.570 1.00 0.00 C ATOM 0 H MET A 78 2.856 -1.321 5.749 1.00 0.00 H new ATOM 0 HA MET A 78 2.146 0.995 7.275 1.00 0.00 H new ATOM 0 HB2 MET A 78 2.616 0.647 4.298 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.517 2.174 5.153 1.00 0.00 H new ATOM 0 HG2 MET A 78 4.530 1.520 6.490 1.00 0.00 H new ATOM 0 HG3 MET A 78 4.644 0.043 5.554 1.00 0.00 H new ATOM 0 HE1 MET A 78 4.940 4.242 3.662 1.00 0.00 H new ATOM 0 HE2 MET A 78 3.766 3.685 4.878 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.436 4.066 5.362 1.00 0.00 H new ATOM 285 N ALA A 79 0.009 -0.378 5.196 1.00 0.00 N ATOM 286 CA ALA A 79 -1.387 -0.430 4.776 1.00 0.00 C ATOM 287 C ALA A 79 -2.317 -0.544 5.978 1.00 0.00 C ATOM 288 O ALA A 79 -3.315 0.179 6.085 1.00 0.00 O ATOM 289 CB ALA A 79 -1.614 -1.598 3.829 1.00 0.00 C ATOM 0 H ALA A 79 0.579 -1.139 4.826 1.00 0.00 H new ATOM 0 HA ALA A 79 -1.614 0.499 4.254 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.661 -1.622 3.525 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.983 -1.480 2.948 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -1.361 -2.530 4.334 1.00 0.00 H new ATOM 295 N LYS A 80 -1.959 -1.429 6.891 1.00 0.00 N ATOM 296 CA LYS A 80 -2.725 -1.660 8.113 1.00 0.00 C ATOM 297 C LYS A 80 -2.811 -0.376 8.945 1.00 0.00 C ATOM 298 O LYS A 80 -3.822 -0.104 9.598 1.00 0.00 O ATOM 299 CB LYS A 80 -2.086 -2.844 8.906 1.00 0.00 C ATOM 300 CG LYS A 80 -2.744 -3.235 10.243 1.00 0.00 C ATOM 301 CD LYS A 80 -2.343 -2.310 11.397 1.00 0.00 C ATOM 302 CE LYS A 80 -3.048 -2.692 12.687 1.00 0.00 C ATOM 303 NZ LYS A 80 -2.728 -4.083 13.105 1.00 0.00 N ATOM 0 H LYS A 80 -1.126 -2.012 6.810 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.749 -1.938 7.863 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.087 -3.722 8.260 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.043 -2.594 9.103 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.828 -3.216 10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.468 -4.260 10.492 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.264 -2.356 11.543 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.586 -1.279 11.140 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -2.758 -2.000 13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -4.125 -2.592 12.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.072 -4.242 14.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -3.189 -4.755 12.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -1.698 -4.226 13.076 1.00 0.00 H new ATOM 317 N ALA A 81 -1.765 0.414 8.898 1.00 0.00 N ATOM 318 CA ALA A 81 -1.719 1.646 9.643 1.00 0.00 C ATOM 319 C ALA A 81 -2.638 2.706 9.026 1.00 0.00 C ATOM 320 O ALA A 81 -3.117 3.600 9.727 1.00 0.00 O ATOM 321 CB ALA A 81 -0.290 2.145 9.751 1.00 0.00 C ATOM 0 H ALA A 81 -0.929 0.222 8.346 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.087 1.450 10.650 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.272 3.077 10.317 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.318 1.399 10.262 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.111 2.319 8.753 1.00 0.00 H new ATOM 327 N ILE A 82 -2.870 2.611 7.723 1.00 0.00 N ATOM 328 CA ILE A 82 -3.765 3.533 7.006 1.00 0.00 C ATOM 329 C ILE A 82 -5.223 3.160 7.299 1.00 0.00 C ATOM 330 O ILE A 82 -6.092 4.012 7.408 1.00 0.00 O ATOM 331 CB ILE A 82 -3.521 3.473 5.469 1.00 0.00 C ATOM 332 CG1 ILE A 82 -2.082 3.881 5.132 1.00 0.00 C ATOM 333 CG2 ILE A 82 -4.522 4.353 4.712 1.00 0.00 C ATOM 334 CD1 ILE A 82 -1.751 3.790 3.658 1.00 0.00 C ATOM 0 H ILE A 82 -2.448 1.898 7.128 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.557 4.546 7.350 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.672 2.442 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.916 4.904 5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.394 3.245 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.325 4.290 3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.536 4.009 4.916 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -4.417 5.387 5.039 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.717 4.094 3.498 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.884 2.763 3.318 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.414 4.447 3.095 1.00 0.00 H new ATOM 346 N MET A 83 -5.453 1.870 7.430 1.00 0.00 N ATOM 347 CA MET A 83 -6.768 1.313 7.762 1.00 0.00 C ATOM 348 C MET A 83 -7.229 1.794 9.141 1.00 0.00 C ATOM 349 O MET A 83 -8.422 1.982 9.373 1.00 0.00 O ATOM 350 CB MET A 83 -6.671 -0.219 7.731 1.00 0.00 C ATOM 351 CG MET A 83 -7.917 -0.964 8.177 1.00 0.00 C ATOM 352 SD MET A 83 -7.688 -2.749 8.119 1.00 0.00 S ATOM 353 CE MET A 83 -9.265 -3.311 8.760 1.00 0.00 C ATOM 0 H MET A 83 -4.729 1.162 7.309 1.00 0.00 H new ATOM 0 HA MET A 83 -7.503 1.652 7.032 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.428 -0.529 6.715 1.00 0.00 H new ATOM 0 HB3 MET A 83 -5.839 -0.526 8.365 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.176 -0.664 9.192 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.755 -0.684 7.539 1.00 0.00 H new ATOM 0 HE1 MET A 83 -9.280 -4.401 8.786 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.408 -2.922 9.768 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.068 -2.953 8.116 1.00 0.00 H new ATOM 363 N ALA A 84 -6.274 1.993 10.030 1.00 0.00 N ATOM 364 CA ALA A 84 -6.565 2.455 11.375 1.00 0.00 C ATOM 365 C ALA A 84 -6.598 3.984 11.448 1.00 0.00 C ATOM 366 O ALA A 84 -7.407 4.558 12.167 1.00 0.00 O ATOM 367 CB ALA A 84 -5.540 1.898 12.351 1.00 0.00 C ATOM 0 H ALA A 84 -5.283 1.841 9.843 1.00 0.00 H new ATOM 0 HA ALA A 84 -7.555 2.090 11.650 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.767 2.250 13.357 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -5.574 0.809 12.332 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -4.544 2.235 12.064 1.00 0.00 H new ATOM 373 N ASP A 85 -5.719 4.631 10.704 1.00 0.00 N ATOM 374 CA ASP A 85 -5.621 6.069 10.705 1.00 0.00 C ATOM 375 C ASP A 85 -5.476 6.592 9.289 1.00 0.00 C ATOM 376 O ASP A 85 -4.483 6.296 8.603 1.00 0.00 O ATOM 377 CB ASP A 85 -4.450 6.535 11.574 1.00 0.00 C ATOM 378 CG ASP A 85 -3.990 7.924 11.206 1.00 0.00 C ATOM 379 OD1 ASP A 85 -4.750 8.878 11.354 1.00 0.00 O ATOM 380 OD2 ASP A 85 -2.846 8.040 10.712 1.00 0.00 O ATOM 0 H ASP A 85 -5.055 4.168 10.083 1.00 0.00 H new ATOM 0 HA ASP A 85 -6.540 6.473 11.130 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -4.747 6.518 12.623 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -3.619 5.838 11.467 1.00 0.00 H new ATOM 385 N PRO A 86 -6.452 7.358 8.819 1.00 0.00 N ATOM 386 CA PRO A 86 -6.444 7.900 7.481 1.00 0.00 C ATOM 387 C PRO A 86 -5.790 9.292 7.381 1.00 0.00 C ATOM 388 O PRO A 86 -5.768 9.881 6.304 1.00 0.00 O ATOM 389 CB PRO A 86 -7.932 7.992 7.161 1.00 0.00 C ATOM 390 CG PRO A 86 -8.581 8.307 8.473 1.00 0.00 C ATOM 391 CD PRO A 86 -7.688 7.732 9.550 1.00 0.00 C ATOM 0 HA PRO A 86 -5.860 7.284 6.797 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -8.132 8.769 6.423 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -8.307 7.056 6.748 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -8.695 9.384 8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -9.579 7.872 8.525 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -7.485 8.462 10.333 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -8.146 6.868 10.031 1.00 0.00 H new ATOM 399 N SER A 87 -5.250 9.802 8.481 1.00 0.00 N ATOM 400 CA SER A 87 -4.662 11.137 8.482 1.00 0.00 C ATOM 401 C SER A 87 -3.372 11.171 7.651 1.00 0.00 C ATOM 402 O SER A 87 -3.209 12.005 6.780 1.00 0.00 O ATOM 403 CB SER A 87 -4.380 11.571 9.916 1.00 0.00 C ATOM 404 OG SER A 87 -5.513 11.325 10.736 1.00 0.00 O ATOM 0 H SER A 87 -5.207 9.317 9.377 1.00 0.00 H new ATOM 0 HA SER A 87 -5.371 11.830 8.028 1.00 0.00 H new ATOM 0 HB2 SER A 87 -3.517 11.030 10.304 1.00 0.00 H new ATOM 0 HB3 SER A 87 -4.128 12.631 9.940 1.00 0.00 H new ATOM 0 HG SER A 87 -5.351 10.532 11.289 1.00 0.00 H new ATOM 410 N LYS A 88 -2.507 10.199 7.887 1.00 0.00 N ATOM 411 CA LYS A 88 -1.190 10.115 7.211 1.00 0.00 C ATOM 412 C LYS A 88 -1.281 9.385 5.876 1.00 0.00 C ATOM 413 O LYS A 88 -0.282 9.161 5.198 1.00 0.00 O ATOM 414 CB LYS A 88 -0.105 9.538 8.152 1.00 0.00 C ATOM 415 CG LYS A 88 -0.502 8.260 8.861 1.00 0.00 C ATOM 416 CD LYS A 88 -0.466 7.027 7.977 1.00 0.00 C ATOM 417 CE LYS A 88 -1.468 6.004 8.444 1.00 0.00 C ATOM 418 NZ LYS A 88 -1.542 5.892 9.919 1.00 0.00 N ATOM 0 H LYS A 88 -2.681 9.441 8.547 1.00 0.00 H new ATOM 0 HA LYS A 88 -0.875 11.130 6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 88 0.799 9.351 7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 88 0.146 10.290 8.900 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.164 8.106 9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -1.508 8.377 9.263 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.680 7.307 6.946 1.00 0.00 H new ATOM 0 HD3 LYS A 88 0.534 6.595 7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -2.452 6.265 8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -1.208 5.032 8.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -2.088 5.045 10.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -0.581 5.817 10.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -2.009 6.736 10.308 1.00 0.00 H new ATOM 432 N ALA A 89 -2.480 8.896 5.592 1.00 0.00 N ATOM 433 CA ALA A 89 -2.771 8.103 4.405 1.00 0.00 C ATOM 434 C ALA A 89 -2.178 8.691 3.122 1.00 0.00 C ATOM 435 O ALA A 89 -1.517 7.971 2.378 1.00 0.00 O ATOM 436 CB ALA A 89 -4.266 7.935 4.245 1.00 0.00 C ATOM 0 H ALA A 89 -3.293 9.042 6.191 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.296 7.134 4.558 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.472 7.341 3.355 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -4.671 7.429 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -4.733 8.914 4.144 1.00 0.00 H new ATOM 442 N ASP A 90 -2.368 9.990 2.893 1.00 0.00 N ATOM 443 CA ASP A 90 -1.915 10.619 1.634 1.00 0.00 C ATOM 444 C ASP A 90 -0.402 10.604 1.519 1.00 0.00 C ATOM 445 O ASP A 90 0.147 10.273 0.456 1.00 0.00 O ATOM 446 CB ASP A 90 -2.449 12.040 1.467 1.00 0.00 C ATOM 447 CG ASP A 90 -2.095 12.614 0.101 1.00 0.00 C ATOM 448 OD1 ASP A 90 -2.745 12.222 -0.889 1.00 0.00 O ATOM 449 OD2 ASP A 90 -1.176 13.455 0.009 1.00 0.00 O ATOM 0 H ASP A 90 -2.824 10.627 3.546 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.329 10.018 0.825 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -3.532 12.040 1.593 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -2.037 12.678 2.249 1.00 0.00 H new ATOM 454 N ASP A 91 0.269 10.878 2.641 1.00 0.00 N ATOM 455 CA ASP A 91 1.739 10.856 2.734 1.00 0.00 C ATOM 456 C ASP A 91 2.254 9.514 2.264 1.00 0.00 C ATOM 457 O ASP A 91 3.251 9.422 1.529 1.00 0.00 O ATOM 458 CB ASP A 91 2.205 11.043 4.188 1.00 0.00 C ATOM 459 CG ASP A 91 1.698 12.301 4.837 1.00 0.00 C ATOM 460 OD1 ASP A 91 0.542 12.283 5.327 1.00 0.00 O ATOM 461 OD2 ASP A 91 2.446 13.296 4.873 1.00 0.00 O ATOM 0 H ASP A 91 -0.191 11.123 3.518 1.00 0.00 H new ATOM 0 HA ASP A 91 2.122 11.668 2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 91 1.878 10.186 4.776 1.00 0.00 H new ATOM 0 HB3 ASP A 91 3.295 11.048 4.211 1.00 0.00 H new ATOM 466 N VAL A 92 1.548 8.467 2.663 1.00 0.00 N ATOM 467 CA VAL A 92 1.911 7.110 2.323 1.00 0.00 C ATOM 468 C VAL A 92 1.566 6.803 0.864 1.00 0.00 C ATOM 469 O VAL A 92 2.305 6.099 0.200 1.00 0.00 O ATOM 470 CB VAL A 92 1.242 6.077 3.273 1.00 0.00 C ATOM 471 CG1 VAL A 92 1.680 4.662 2.931 1.00 0.00 C ATOM 472 CG2 VAL A 92 1.568 6.391 4.725 1.00 0.00 C ATOM 0 H VAL A 92 0.706 8.540 3.233 1.00 0.00 H new ATOM 0 HA VAL A 92 2.990 7.022 2.450 1.00 0.00 H new ATOM 0 HB VAL A 92 0.163 6.146 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.198 3.958 3.610 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.394 4.431 1.905 1.00 0.00 H new ATOM 0 HG13 VAL A 92 2.762 4.581 3.033 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.090 5.656 5.372 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.648 6.356 4.871 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.200 7.387 4.973 1.00 0.00 H new ATOM 482 N TYR A 93 0.474 7.368 0.354 1.00 0.00 N ATOM 483 CA TYR A 93 0.096 7.161 -1.058 1.00 0.00 C ATOM 484 C TYR A 93 1.172 7.755 -1.945 1.00 0.00 C ATOM 485 O TYR A 93 1.629 7.130 -2.907 1.00 0.00 O ATOM 486 CB TYR A 93 -1.256 7.809 -1.405 1.00 0.00 C ATOM 487 CG TYR A 93 -2.441 7.327 -0.594 1.00 0.00 C ATOM 488 CD1 TYR A 93 -2.441 6.083 0.030 1.00 0.00 C ATOM 489 CD2 TYR A 93 -3.568 8.122 -0.463 1.00 0.00 C ATOM 490 CE1 TYR A 93 -3.526 5.655 0.757 1.00 0.00 C ATOM 491 CE2 TYR A 93 -4.656 7.699 0.265 1.00 0.00 C ATOM 492 CZ TYR A 93 -4.630 6.465 0.874 1.00 0.00 C ATOM 493 OH TYR A 93 -5.715 6.036 1.599 1.00 0.00 O ATOM 0 H TYR A 93 -0.162 7.966 0.882 1.00 0.00 H new ATOM 0 HA TYR A 93 -0.002 6.088 -1.222 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -1.165 8.888 -1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -1.464 7.630 -2.460 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -1.575 5.444 -0.058 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -3.593 9.090 -0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.511 4.686 1.234 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -5.526 8.332 0.358 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.411 6.726 1.585 1.00 0.00 H new ATOM 503 N GLN A 94 1.590 8.949 -1.578 1.00 0.00 N ATOM 504 CA GLN A 94 2.666 9.658 -2.236 1.00 0.00 C ATOM 505 C GLN A 94 3.964 8.845 -2.129 1.00 0.00 C ATOM 506 O GLN A 94 4.710 8.713 -3.092 1.00 0.00 O ATOM 507 CB GLN A 94 2.785 11.074 -1.594 1.00 0.00 C ATOM 508 CG GLN A 94 3.943 11.967 -2.071 1.00 0.00 C ATOM 509 CD GLN A 94 5.290 11.650 -1.416 1.00 0.00 C ATOM 510 OE1 GLN A 94 5.268 11.196 -0.178 1.00 0.00 O flip ATOM 511 NE2 GLN A 94 6.338 11.827 -2.014 1.00 0.00 N flip ATOM 0 H GLN A 94 1.182 9.464 -0.798 1.00 0.00 H new ATOM 0 HA GLN A 94 2.464 9.785 -3.300 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.851 11.606 -1.775 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.877 10.949 -0.515 1.00 0.00 H new ATOM 0 HG2 GLN A 94 4.044 11.865 -3.152 1.00 0.00 H new ATOM 0 HG3 GLN A 94 3.690 13.008 -1.871 1.00 0.00 H new ATOM 0 HE21 GLN A 94 6.326 12.179 -2.971 1.00 0.00 H new ATOM 0 HE22 GLN A 94 7.227 11.623 -1.557 1.00 0.00 H new ATOM 520 N LYS A 95 4.181 8.258 -0.967 1.00 0.00 N ATOM 521 CA LYS A 95 5.378 7.483 -0.706 1.00 0.00 C ATOM 522 C LYS A 95 5.349 6.177 -1.529 1.00 0.00 C ATOM 523 O LYS A 95 6.379 5.686 -1.978 1.00 0.00 O ATOM 524 CB LYS A 95 5.497 7.214 0.815 1.00 0.00 C ATOM 525 CG LYS A 95 6.905 6.894 1.319 1.00 0.00 C ATOM 526 CD LYS A 95 7.404 5.526 0.891 1.00 0.00 C ATOM 527 CE LYS A 95 8.883 5.379 1.190 1.00 0.00 C ATOM 528 NZ LYS A 95 9.684 6.397 0.452 1.00 0.00 N ATOM 0 H LYS A 95 3.534 8.305 -0.180 1.00 0.00 H new ATOM 0 HA LYS A 95 6.262 8.041 -1.015 1.00 0.00 H new ATOM 0 HB2 LYS A 95 5.128 8.089 1.351 1.00 0.00 H new ATOM 0 HB3 LYS A 95 4.840 6.383 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 95 7.595 7.655 0.953 1.00 0.00 H new ATOM 0 HG3 LYS A 95 6.915 6.952 2.407 1.00 0.00 H new ATOM 0 HD2 LYS A 95 6.843 4.749 1.411 1.00 0.00 H new ATOM 0 HD3 LYS A 95 7.228 5.386 -0.175 1.00 0.00 H new ATOM 0 HE2 LYS A 95 9.053 5.485 2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 95 9.216 4.379 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 10.654 6.046 0.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 9.249 6.574 -0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 9.708 7.282 0.998 1.00 0.00 H new ATOM 542 N TRP A 96 4.178 5.631 -1.720 1.00 0.00 N ATOM 543 CA TRP A 96 4.030 4.443 -2.533 1.00 0.00 C ATOM 544 C TRP A 96 4.217 4.756 -4.011 1.00 0.00 C ATOM 545 O TRP A 96 4.730 3.926 -4.763 1.00 0.00 O ATOM 546 CB TRP A 96 2.715 3.698 -2.248 1.00 0.00 C ATOM 547 CG TRP A 96 2.713 2.925 -0.943 1.00 0.00 C ATOM 548 CD1 TRP A 96 3.797 2.612 -0.162 1.00 0.00 C ATOM 549 CD2 TRP A 96 1.578 2.331 -0.296 1.00 0.00 C ATOM 550 NE1 TRP A 96 3.399 1.876 0.929 1.00 0.00 N ATOM 551 CE2 TRP A 96 2.043 1.690 0.869 1.00 0.00 C ATOM 552 CE3 TRP A 96 0.216 2.285 -0.584 1.00 0.00 C ATOM 553 CZ2 TRP A 96 1.191 1.013 1.736 1.00 0.00 C ATOM 554 CZ3 TRP A 96 -0.628 1.612 0.277 1.00 0.00 C ATOM 555 CH2 TRP A 96 -0.138 0.986 1.423 1.00 0.00 C ATOM 0 H TRP A 96 3.308 5.987 -1.325 1.00 0.00 H new ATOM 0 HA TRP A 96 4.828 3.756 -2.250 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.897 4.419 -2.233 1.00 0.00 H new ATOM 0 HB3 TRP A 96 2.516 3.007 -3.068 1.00 0.00 H new ATOM 0 HD1 TRP A 96 4.816 2.902 -0.374 1.00 0.00 H new ATOM 0 HE1 TRP A 96 4.014 1.525 1.664 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -0.174 2.768 -1.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 1.567 0.527 2.624 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -1.685 1.570 0.059 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -0.824 0.469 2.077 1.00 0.00 H new ATOM 566 N ALA A 97 3.844 5.965 -4.414 1.00 0.00 N ATOM 567 CA ALA A 97 4.073 6.427 -5.783 1.00 0.00 C ATOM 568 C ALA A 97 5.580 6.558 -6.020 1.00 0.00 C ATOM 569 O ALA A 97 6.086 6.226 -7.087 1.00 0.00 O ATOM 570 CB ALA A 97 3.364 7.752 -6.030 1.00 0.00 C ATOM 0 H ALA A 97 3.381 6.646 -3.813 1.00 0.00 H new ATOM 0 HA ALA A 97 3.662 5.701 -6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 97 3.547 8.077 -7.054 1.00 0.00 H new ATOM 0 HB2 ALA A 97 2.292 7.626 -5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.744 8.503 -5.337 1.00 0.00 H new ATOM 576 N ASP A 98 6.282 6.999 -4.973 1.00 0.00 N ATOM 577 CA ASP A 98 7.766 7.082 -4.928 1.00 0.00 C ATOM 578 C ASP A 98 8.419 5.706 -5.192 1.00 0.00 C ATOM 579 O ASP A 98 9.573 5.601 -5.635 1.00 0.00 O ATOM 580 CB ASP A 98 8.203 7.664 -3.540 1.00 0.00 C ATOM 581 CG ASP A 98 9.530 7.124 -2.996 1.00 0.00 C ATOM 582 OD1 ASP A 98 10.596 7.541 -3.407 1.00 0.00 O ATOM 583 OD2 ASP A 98 9.513 6.197 -2.125 1.00 0.00 O ATOM 0 H ASP A 98 5.838 7.317 -4.111 1.00 0.00 H new ATOM 0 HA ASP A 98 8.109 7.747 -5.720 1.00 0.00 H new ATOM 0 HB2 ASP A 98 8.278 8.748 -3.626 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.418 7.455 -2.813 1.00 0.00 H new ATOM 588 N LYS A 99 7.692 4.656 -4.909 1.00 0.00 N ATOM 589 CA LYS A 99 8.191 3.315 -5.120 1.00 0.00 C ATOM 590 C LYS A 99 7.578 2.636 -6.312 1.00 0.00 C ATOM 591 O LYS A 99 7.865 1.475 -6.583 1.00 0.00 O ATOM 592 CB LYS A 99 8.062 2.493 -3.859 1.00 0.00 C ATOM 593 CG LYS A 99 9.035 2.949 -2.818 1.00 0.00 C ATOM 594 CD LYS A 99 10.466 2.544 -3.231 1.00 0.00 C ATOM 595 CE LYS A 99 11.530 3.577 -2.865 1.00 0.00 C ATOM 596 NZ LYS A 99 11.336 4.859 -3.592 1.00 0.00 N ATOM 0 H LYS A 99 6.746 4.701 -4.529 1.00 0.00 H new ATOM 0 HA LYS A 99 9.251 3.402 -5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 99 7.046 2.572 -3.472 1.00 0.00 H new ATOM 0 HB3 LYS A 99 8.235 1.441 -4.087 1.00 0.00 H new ATOM 0 HG2 LYS A 99 8.973 4.031 -2.697 1.00 0.00 H new ATOM 0 HG3 LYS A 99 8.785 2.506 -1.854 1.00 0.00 H new ATOM 0 HD2 LYS A 99 10.716 1.595 -2.756 1.00 0.00 H new ATOM 0 HD3 LYS A 99 10.490 2.378 -4.308 1.00 0.00 H new ATOM 0 HE2 LYS A 99 11.502 3.762 -1.791 1.00 0.00 H new ATOM 0 HE3 LYS A 99 12.518 3.177 -3.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 12.241 5.165 -4.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 10.637 4.725 -4.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 10.994 5.585 -2.930 1.00 0.00 H new ATOM 610 N GLY A 100 6.745 3.355 -7.016 1.00 0.00 N ATOM 611 CA GLY A 100 6.145 2.831 -8.214 1.00 0.00 C ATOM 612 C GLY A 100 5.039 1.838 -7.943 1.00 0.00 C ATOM 613 O GLY A 100 4.653 1.075 -8.837 1.00 0.00 O ATOM 0 H GLY A 100 6.466 4.307 -6.780 1.00 0.00 H new ATOM 0 HA2 GLY A 100 5.746 3.657 -8.804 1.00 0.00 H new ATOM 0 HA3 GLY A 100 6.915 2.351 -8.818 1.00 0.00 H new ATOM 617 N TYR A 101 4.535 1.814 -6.714 1.00 0.00 N ATOM 618 CA TYR A 101 3.420 0.934 -6.410 1.00 0.00 C ATOM 619 C TYR A 101 2.177 1.339 -7.186 1.00 0.00 C ATOM 620 O TYR A 101 1.803 2.517 -7.244 1.00 0.00 O ATOM 621 CB TYR A 101 3.118 0.845 -4.913 1.00 0.00 C ATOM 622 CG TYR A 101 4.175 0.125 -4.109 1.00 0.00 C ATOM 623 CD1 TYR A 101 4.365 -1.243 -4.250 1.00 0.00 C ATOM 624 CD2 TYR A 101 4.980 0.806 -3.215 1.00 0.00 C ATOM 625 CE1 TYR A 101 5.330 -1.908 -3.522 1.00 0.00 C ATOM 626 CE2 TYR A 101 5.947 0.149 -2.482 1.00 0.00 C ATOM 627 CZ TYR A 101 6.118 -1.205 -2.640 1.00 0.00 C ATOM 628 OH TYR A 101 7.082 -1.858 -1.914 1.00 0.00 O ATOM 0 H TYR A 101 4.871 2.378 -5.933 1.00 0.00 H new ATOM 0 HA TYR A 101 3.723 -0.064 -6.727 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.001 1.854 -4.517 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.164 0.336 -4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.747 -1.796 -4.941 1.00 0.00 H new ATOM 0 HD2 TYR A 101 4.850 1.871 -3.088 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.466 -2.973 -3.644 1.00 0.00 H new ATOM 0 HE2 TYR A 101 6.567 0.697 -1.787 1.00 0.00 H new ATOM 0 HH TYR A 101 7.550 -1.216 -1.340 1.00 0.00 H new ATOM 638 N THR A 102 1.574 0.373 -7.809 1.00 0.00 N ATOM 639 CA THR A 102 0.398 0.583 -8.575 1.00 0.00 C ATOM 640 C THR A 102 -0.778 -0.139 -7.938 1.00 0.00 C ATOM 641 O THR A 102 -0.610 -1.229 -7.381 1.00 0.00 O ATOM 642 CB THR A 102 0.607 0.111 -10.027 1.00 0.00 C ATOM 643 OG1 THR A 102 1.179 -1.205 -10.023 1.00 0.00 O ATOM 644 CG2 THR A 102 1.520 1.065 -10.791 1.00 0.00 C ATOM 0 H THR A 102 1.895 -0.595 -7.795 1.00 0.00 H new ATOM 0 HA THR A 102 0.179 1.651 -8.594 1.00 0.00 H new ATOM 0 HB THR A 102 -0.362 0.095 -10.527 1.00 0.00 H new ATOM 0 HG1 THR A 102 1.311 -1.507 -10.946 1.00 0.00 H new ATOM 0 HG21 THR A 102 1.649 0.706 -11.812 1.00 0.00 H new ATOM 0 HG22 THR A 102 1.074 2.059 -10.810 1.00 0.00 H new ATOM 0 HG23 THR A 102 2.491 1.113 -10.298 1.00 0.00 H new ATOM 652 N LEU A 103 -1.956 0.479 -8.014 1.00 0.00 N ATOM 653 CA LEU A 103 -3.220 -0.063 -7.461 1.00 0.00 C ATOM 654 C LEU A 103 -3.445 -1.540 -7.854 1.00 0.00 C ATOM 655 O LEU A 103 -3.854 -2.364 -7.026 1.00 0.00 O ATOM 656 CB LEU A 103 -4.399 0.787 -7.960 1.00 0.00 C ATOM 657 CG LEU A 103 -5.786 0.435 -7.414 1.00 0.00 C ATOM 658 CD1 LEU A 103 -5.860 0.680 -5.914 1.00 0.00 C ATOM 659 CD2 LEU A 103 -6.860 1.227 -8.141 1.00 0.00 C ATOM 0 H LEU A 103 -2.073 1.386 -8.467 1.00 0.00 H new ATOM 0 HA LEU A 103 -3.151 -0.020 -6.374 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -4.193 1.829 -7.717 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.434 0.714 -9.047 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.961 -0.626 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -6.855 0.422 -5.552 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.118 0.062 -5.407 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.660 1.731 -5.707 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -7.839 0.965 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -6.684 2.293 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.828 0.992 -9.205 1.00 0.00 H new ATOM 671 N THR A 104 -3.134 -1.862 -9.096 1.00 0.00 N ATOM 672 CA THR A 104 -3.318 -3.200 -9.621 1.00 0.00 C ATOM 673 C THR A 104 -2.427 -4.235 -8.894 1.00 0.00 C ATOM 674 O THR A 104 -2.869 -5.343 -8.617 1.00 0.00 O ATOM 675 CB THR A 104 -3.110 -3.240 -11.174 1.00 0.00 C ATOM 676 OG1 THR A 104 -3.232 -4.569 -11.684 1.00 0.00 O ATOM 677 CG2 THR A 104 -1.761 -2.655 -11.580 1.00 0.00 C ATOM 0 H THR A 104 -2.746 -1.201 -9.769 1.00 0.00 H new ATOM 0 HA THR A 104 -4.352 -3.483 -9.425 1.00 0.00 H new ATOM 0 HB THR A 104 -3.897 -2.624 -11.609 1.00 0.00 H new ATOM 0 HG1 THR A 104 -3.099 -4.560 -12.655 1.00 0.00 H new ATOM 0 HG21 THR A 104 -1.656 -2.701 -12.664 1.00 0.00 H new ATOM 0 HG22 THR A 104 -1.702 -1.617 -11.254 1.00 0.00 H new ATOM 0 HG23 THR A 104 -0.960 -3.228 -11.113 1.00 0.00 H new ATOM 685 N GLN A 105 -1.208 -3.852 -8.539 1.00 0.00 N ATOM 686 CA GLN A 105 -0.311 -4.767 -7.854 1.00 0.00 C ATOM 687 C GLN A 105 -0.589 -4.740 -6.366 1.00 0.00 C ATOM 688 O GLN A 105 -0.474 -5.757 -5.684 1.00 0.00 O ATOM 689 CB GLN A 105 1.157 -4.425 -8.137 1.00 0.00 C ATOM 690 CG GLN A 105 1.536 -4.512 -9.611 1.00 0.00 C ATOM 691 CD GLN A 105 1.294 -5.893 -10.210 1.00 0.00 C ATOM 692 OE1 GLN A 105 1.388 -6.912 -9.529 1.00 0.00 O ATOM 693 NE2 GLN A 105 0.969 -5.934 -11.473 1.00 0.00 N ATOM 0 H GLN A 105 -0.822 -2.924 -8.712 1.00 0.00 H new ATOM 0 HA GLN A 105 -0.492 -5.773 -8.232 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.361 -3.416 -7.778 1.00 0.00 H new ATOM 0 HB3 GLN A 105 1.794 -5.101 -7.567 1.00 0.00 H new ATOM 0 HG2 GLN A 105 0.963 -3.774 -10.172 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.588 -4.252 -9.725 1.00 0.00 H new ATOM 0 HE21 GLN A 105 0.900 -5.070 -12.010 1.00 0.00 H new ATOM 0 HE22 GLN A 105 0.784 -6.830 -11.923 1.00 0.00 H new ATOM 702 N LEU A 106 -0.996 -3.569 -5.884 1.00 0.00 N ATOM 703 CA LEU A 106 -1.334 -3.335 -4.482 1.00 0.00 C ATOM 704 C LEU A 106 -2.461 -4.297 -4.062 1.00 0.00 C ATOM 705 O LEU A 106 -2.474 -4.821 -2.938 1.00 0.00 O ATOM 706 CB LEU A 106 -1.742 -1.839 -4.319 1.00 0.00 C ATOM 707 CG LEU A 106 -1.919 -1.240 -2.895 1.00 0.00 C ATOM 708 CD1 LEU A 106 -3.170 -1.735 -2.190 1.00 0.00 C ATOM 709 CD2 LEU A 106 -0.678 -1.480 -2.047 1.00 0.00 C ATOM 0 H LEU A 106 -1.102 -2.740 -6.468 1.00 0.00 H new ATOM 0 HA LEU A 106 -0.482 -3.530 -3.831 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -0.992 -1.239 -4.834 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.683 -1.698 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.049 -0.166 -3.025 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -3.235 -1.280 -1.202 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -4.049 -1.462 -2.774 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -3.125 -2.819 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.826 -1.052 -1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.501 -2.552 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 106 0.183 -1.009 -2.521 1.00 0.00 H new ATOM 721 N SER A 107 -3.362 -4.559 -5.005 1.00 0.00 N ATOM 722 CA SER A 107 -4.475 -5.473 -4.816 1.00 0.00 C ATOM 723 C SER A 107 -3.982 -6.882 -4.430 1.00 0.00 C ATOM 724 O SER A 107 -4.604 -7.566 -3.609 1.00 0.00 O ATOM 725 CB SER A 107 -5.296 -5.556 -6.112 1.00 0.00 C ATOM 726 OG SER A 107 -5.774 -4.275 -6.514 1.00 0.00 O ATOM 0 H SER A 107 -3.336 -4.135 -5.932 1.00 0.00 H new ATOM 0 HA SER A 107 -5.094 -5.093 -4.004 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.682 -5.981 -6.906 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.140 -6.230 -5.966 1.00 0.00 H new ATOM 0 HG SER A 107 -5.015 -3.700 -6.745 1.00 0.00 H new ATOM 732 N ASP A 108 -2.852 -7.284 -4.997 1.00 0.00 N ATOM 733 CA ASP A 108 -2.312 -8.621 -4.777 1.00 0.00 C ATOM 734 C ASP A 108 -1.497 -8.696 -3.491 1.00 0.00 C ATOM 735 O ASP A 108 -1.545 -9.708 -2.783 1.00 0.00 O ATOM 736 CB ASP A 108 -1.485 -9.093 -5.976 1.00 0.00 C ATOM 737 CG ASP A 108 -1.003 -10.518 -5.811 1.00 0.00 C ATOM 738 OD1 ASP A 108 -1.847 -11.426 -5.752 1.00 0.00 O ATOM 739 OD2 ASP A 108 0.224 -10.741 -5.717 1.00 0.00 O ATOM 0 H ASP A 108 -2.289 -6.701 -5.616 1.00 0.00 H new ATOM 0 HA ASP A 108 -3.162 -9.295 -4.668 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -2.086 -9.017 -6.882 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -0.627 -8.433 -6.106 1.00 0.00 H new ATOM 744 N PHE A 109 -0.761 -7.613 -3.182 1.00 0.00 N ATOM 745 CA PHE A 109 0.031 -7.534 -1.935 1.00 0.00 C ATOM 746 C PHE A 109 -0.860 -7.712 -0.723 1.00 0.00 C ATOM 747 O PHE A 109 -0.574 -8.509 0.179 1.00 0.00 O ATOM 748 CB PHE A 109 0.725 -6.170 -1.787 1.00 0.00 C ATOM 749 CG PHE A 109 1.927 -5.926 -2.643 1.00 0.00 C ATOM 750 CD1 PHE A 109 3.150 -6.412 -2.264 1.00 0.00 C ATOM 751 CD2 PHE A 109 1.845 -5.171 -3.782 1.00 0.00 C ATOM 752 CE1 PHE A 109 4.279 -6.157 -3.001 1.00 0.00 C ATOM 753 CE2 PHE A 109 2.953 -4.909 -4.543 1.00 0.00 C ATOM 754 CZ PHE A 109 4.185 -5.401 -4.153 1.00 0.00 C ATOM 0 H PHE A 109 -0.696 -6.784 -3.773 1.00 0.00 H new ATOM 0 HA PHE A 109 0.776 -8.328 -1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -0.007 -5.392 -2.001 1.00 0.00 H new ATOM 0 HB3 PHE A 109 1.021 -6.051 -0.745 1.00 0.00 H new ATOM 0 HD1 PHE A 109 3.227 -7.008 -1.367 1.00 0.00 H new ATOM 0 HD2 PHE A 109 0.888 -4.774 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 109 5.235 -6.545 -2.682 1.00 0.00 H new ATOM 0 HE2 PHE A 109 2.865 -4.320 -5.444 1.00 0.00 H new ATOM 0 HZ PHE A 109 5.066 -5.196 -4.744 1.00 0.00 H new ATOM 764 N LEU A 110 -1.942 -6.968 -0.711 1.00 0.00 N ATOM 765 CA LEU A 110 -2.863 -6.988 0.394 1.00 0.00 C ATOM 766 C LEU A 110 -3.792 -8.172 0.323 1.00 0.00 C ATOM 767 O LEU A 110 -4.156 -8.741 1.375 1.00 0.00 O ATOM 768 CB LEU A 110 -3.663 -5.676 0.490 1.00 0.00 C ATOM 769 CG LEU A 110 -2.964 -4.449 1.124 1.00 0.00 C ATOM 770 CD1 LEU A 110 -1.673 -4.073 0.415 1.00 0.00 C ATOM 771 CD2 LEU A 110 -3.913 -3.270 1.132 1.00 0.00 C ATOM 0 H LEU A 110 -2.205 -6.335 -1.466 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.266 -7.085 1.301 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -3.976 -5.400 -0.517 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -4.569 -5.877 1.061 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.695 -4.723 2.144 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.228 -3.206 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -0.977 -4.911 0.458 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.887 -3.832 -0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.418 -2.408 1.579 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.205 -3.031 0.109 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -4.800 -3.521 1.713 1.00 0.00 H new ATOM 783 N LYS A 111 -4.146 -8.554 -0.917 1.00 0.00 N ATOM 784 CA LYS A 111 -5.094 -9.637 -1.230 1.00 0.00 C ATOM 785 C LYS A 111 -6.476 -9.168 -0.746 1.00 0.00 C ATOM 786 O LYS A 111 -7.357 -9.954 -0.338 1.00 0.00 O ATOM 787 CB LYS A 111 -4.665 -10.956 -0.546 1.00 0.00 C ATOM 788 CG LYS A 111 -5.123 -12.231 -1.259 1.00 0.00 C ATOM 789 CD LYS A 111 -4.398 -12.434 -2.605 1.00 0.00 C ATOM 790 CE LYS A 111 -2.880 -12.588 -2.417 1.00 0.00 C ATOM 791 NZ LYS A 111 -2.170 -12.872 -3.686 1.00 0.00 N ATOM 0 H LYS A 111 -3.770 -8.105 -1.752 1.00 0.00 H new ATOM 0 HA LYS A 111 -5.118 -9.844 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -3.578 -10.971 -0.469 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -5.057 -10.965 0.471 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -4.940 -13.092 -0.616 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -6.198 -12.184 -1.430 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -4.795 -13.319 -3.102 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -4.599 -11.585 -3.258 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -2.478 -11.675 -1.978 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -2.686 -13.394 -1.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.145 -12.899 -3.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -2.482 -13.791 -4.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.384 -12.126 -4.378 1.00 0.00 H new ATOM 905 N TYR A 118 -9.241 -4.959 3.883 1.00 0.00 N ATOM 906 CA TYR A 118 -8.390 -3.782 3.753 1.00 0.00 C ATOM 907 C TYR A 118 -9.132 -2.720 2.991 1.00 0.00 C ATOM 908 O TYR A 118 -8.539 -1.857 2.360 1.00 0.00 O ATOM 909 CB TYR A 118 -7.103 -4.172 3.041 1.00 0.00 C ATOM 910 CG TYR A 118 -6.366 -5.280 3.749 1.00 0.00 C ATOM 911 CD1 TYR A 118 -5.634 -5.023 4.899 1.00 0.00 C ATOM 912 CD2 TYR A 118 -6.428 -6.587 3.286 1.00 0.00 C ATOM 913 CE1 TYR A 118 -4.986 -6.043 5.569 1.00 0.00 C ATOM 914 CE2 TYR A 118 -5.785 -7.606 3.942 1.00 0.00 C ATOM 915 CZ TYR A 118 -5.069 -7.336 5.082 1.00 0.00 C ATOM 916 OH TYR A 118 -4.422 -8.370 5.736 1.00 0.00 O ATOM 0 HA TYR A 118 -8.133 -3.386 4.736 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -7.335 -4.486 2.023 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -6.455 -3.299 2.965 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -5.570 -4.013 5.275 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -6.993 -6.806 2.392 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -4.420 -5.833 6.465 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.842 -8.616 3.563 1.00 0.00 H new ATOM 0 HH TYR A 118 -4.916 -9.205 5.597 1.00 0.00 H new ATOM 926 N ASP A 119 -10.442 -2.804 3.101 1.00 0.00 N ATOM 927 CA ASP A 119 -11.423 -1.936 2.451 1.00 0.00 C ATOM 928 C ASP A 119 -11.013 -0.482 2.577 1.00 0.00 C ATOM 929 O ASP A 119 -10.959 0.250 1.598 1.00 0.00 O ATOM 930 CB ASP A 119 -12.743 -2.119 3.180 1.00 0.00 C ATOM 931 CG ASP A 119 -13.912 -1.550 2.454 1.00 0.00 C ATOM 932 OD1 ASP A 119 -14.107 -0.306 2.462 1.00 0.00 O ATOM 933 OD2 ASP A 119 -14.654 -2.332 1.853 1.00 0.00 O ATOM 0 H ASP A 119 -10.884 -3.519 3.679 1.00 0.00 H new ATOM 0 HA ASP A 119 -11.499 -2.193 1.394 1.00 0.00 H new ATOM 0 HB2 ASP A 119 -12.912 -3.183 3.345 1.00 0.00 H new ATOM 0 HB3 ASP A 119 -12.673 -1.651 4.162 1.00 0.00 H new ATOM 938 N ARG A 120 -10.660 -0.108 3.802 1.00 0.00 N ATOM 939 CA ARG A 120 -10.271 1.253 4.141 1.00 0.00 C ATOM 940 C ARG A 120 -9.063 1.710 3.350 1.00 0.00 C ATOM 941 O ARG A 120 -9.121 2.705 2.632 1.00 0.00 O ATOM 942 CB ARG A 120 -9.955 1.359 5.635 1.00 0.00 C ATOM 943 CG ARG A 120 -11.110 1.048 6.584 1.00 0.00 C ATOM 944 CD ARG A 120 -12.289 1.991 6.378 1.00 0.00 C ATOM 945 NE ARG A 120 -13.082 1.672 5.157 1.00 0.00 N ATOM 946 CZ ARG A 120 -14.040 2.441 4.610 1.00 0.00 C ATOM 947 NH1 ARG A 120 -14.326 3.645 5.129 1.00 0.00 N ATOM 948 NH2 ARG A 120 -14.700 2.004 3.542 1.00 0.00 N ATOM 0 H ARG A 120 -10.636 -0.749 4.595 1.00 0.00 H new ATOM 0 HA ARG A 120 -11.113 1.898 3.889 1.00 0.00 H new ATOM 0 HB2 ARG A 120 -9.132 0.682 5.862 1.00 0.00 H new ATOM 0 HB3 ARG A 120 -9.603 2.370 5.841 1.00 0.00 H new ATOM 0 HG2 ARG A 120 -11.438 0.020 6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 120 -10.762 1.122 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 120 -12.941 1.945 7.250 1.00 0.00 H new ATOM 0 HD3 ARG A 120 -11.921 3.015 6.309 1.00 0.00 H new ATOM 0 HE ARG A 120 -12.879 0.787 4.692 1.00 0.00 H new ATOM 0 HH11 ARG A 120 -13.815 3.983 5.945 1.00 0.00 H new ATOM 0 HH12 ARG A 120 -15.054 4.222 4.708 1.00 0.00 H new ATOM 0 HH21 ARG A 120 -14.478 1.092 3.144 1.00 0.00 H new ATOM 0 HH22 ARG A 120 -15.428 2.581 3.121 1.00 0.00 H new ATOM 962 N VAL A 121 -7.994 0.955 3.458 1.00 0.00 N ATOM 963 CA VAL A 121 -6.742 1.329 2.855 1.00 0.00 C ATOM 964 C VAL A 121 -6.783 1.210 1.329 1.00 0.00 C ATOM 965 O VAL A 121 -6.250 2.051 0.631 1.00 0.00 O ATOM 966 CB VAL A 121 -5.529 0.532 3.459 1.00 0.00 C ATOM 967 CG1 VAL A 121 -5.678 -0.959 3.283 1.00 0.00 C ATOM 968 CG2 VAL A 121 -4.212 1.012 2.878 1.00 0.00 C ATOM 0 H VAL A 121 -7.971 0.070 3.964 1.00 0.00 H new ATOM 0 HA VAL A 121 -6.586 2.381 3.096 1.00 0.00 H new ATOM 0 HB VAL A 121 -5.526 0.732 4.530 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -4.815 -1.465 3.717 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -6.585 -1.296 3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -5.741 -1.195 2.221 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -3.392 0.442 3.315 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -4.218 0.869 1.797 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -4.079 2.070 3.104 1.00 0.00 H new ATOM 978 N TYR A 122 -7.472 0.208 0.829 1.00 0.00 N ATOM 979 CA TYR A 122 -7.520 -0.032 -0.593 1.00 0.00 C ATOM 980 C TYR A 122 -8.363 1.021 -1.312 1.00 0.00 C ATOM 981 O TYR A 122 -7.895 1.656 -2.269 1.00 0.00 O ATOM 982 CB TYR A 122 -8.042 -1.440 -0.890 1.00 0.00 C ATOM 983 CG TYR A 122 -8.041 -1.758 -2.356 1.00 0.00 C ATOM 984 CD1 TYR A 122 -6.896 -2.215 -2.973 1.00 0.00 C ATOM 985 CD2 TYR A 122 -9.174 -1.566 -3.130 1.00 0.00 C ATOM 986 CE1 TYR A 122 -6.878 -2.481 -4.315 1.00 0.00 C ATOM 987 CE2 TYR A 122 -9.164 -1.824 -4.474 1.00 0.00 C ATOM 988 CZ TYR A 122 -8.014 -2.285 -5.066 1.00 0.00 C ATOM 989 OH TYR A 122 -7.990 -2.538 -6.416 1.00 0.00 O ATOM 0 H TYR A 122 -8.008 -0.455 1.390 1.00 0.00 H new ATOM 0 HA TYR A 122 -6.501 0.045 -0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -7.427 -2.170 -0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -9.056 -1.537 -0.502 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -6.000 -2.365 -2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -10.080 -1.207 -2.665 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -5.975 -2.844 -4.783 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -10.054 -1.666 -5.065 1.00 0.00 H new ATOM 0 HH TYR A 122 -7.250 -3.147 -6.622 1.00 0.00 H new ATOM 999 N ASN A 123 -9.597 1.203 -0.852 1.00 0.00 N ATOM 1000 CA ASN A 123 -10.524 2.171 -1.456 1.00 0.00 C ATOM 1001 C ASN A 123 -9.941 3.574 -1.331 1.00 0.00 C ATOM 1002 O ASN A 123 -10.092 4.394 -2.233 1.00 0.00 O ATOM 1003 CB ASN A 123 -11.913 2.097 -0.770 1.00 0.00 C ATOM 1004 CG ASN A 123 -13.074 2.839 -1.490 1.00 0.00 C ATOM 1005 OD1 ASN A 123 -14.234 2.421 -1.381 1.00 0.00 O ATOM 1006 ND2 ASN A 123 -12.804 3.912 -2.205 1.00 0.00 N ATOM 0 H ASN A 123 -9.985 0.693 -0.059 1.00 0.00 H new ATOM 0 HA ASN A 123 -10.656 1.929 -2.511 1.00 0.00 H new ATOM 0 HB2 ASN A 123 -12.189 1.048 -0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 123 -11.820 2.503 0.237 1.00 0.00 H new ATOM 0 HD21 ASN A 123 -13.556 4.412 -2.679 1.00 0.00 H new ATOM 0 HD22 ASN A 123 -11.843 4.243 -2.285 1.00 0.00 H new ATOM 1013 N GLY A 124 -9.273 3.832 -0.218 1.00 0.00 N ATOM 1014 CA GLY A 124 -8.643 5.112 -0.016 1.00 0.00 C ATOM 1015 C GLY A 124 -7.482 5.314 -0.968 1.00 0.00 C ATOM 1016 O GLY A 124 -7.368 6.367 -1.600 1.00 0.00 O ATOM 0 H GLY A 124 -9.157 3.172 0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 124 -9.376 5.906 -0.160 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -8.289 5.187 1.012 1.00 0.00 H new ATOM 1020 N TYR A 125 -6.650 4.283 -1.101 1.00 0.00 N ATOM 1021 CA TYR A 125 -5.466 4.312 -1.953 1.00 0.00 C ATOM 1022 C TYR A 125 -5.812 4.590 -3.405 1.00 0.00 C ATOM 1023 O TYR A 125 -5.076 5.279 -4.078 1.00 0.00 O ATOM 1024 CB TYR A 125 -4.665 3.008 -1.815 1.00 0.00 C ATOM 1025 CG TYR A 125 -3.412 2.930 -2.661 1.00 0.00 C ATOM 1026 CD1 TYR A 125 -2.380 3.841 -2.503 1.00 0.00 C ATOM 1027 CD2 TYR A 125 -3.256 1.931 -3.601 1.00 0.00 C ATOM 1028 CE1 TYR A 125 -1.232 3.758 -3.261 1.00 0.00 C ATOM 1029 CE2 TYR A 125 -2.113 1.842 -4.360 1.00 0.00 C ATOM 1030 CZ TYR A 125 -1.108 2.753 -4.186 1.00 0.00 C ATOM 1031 OH TYR A 125 0.025 2.656 -4.943 1.00 0.00 O ATOM 0 H TYR A 125 -6.781 3.396 -0.615 1.00 0.00 H new ATOM 0 HA TYR A 125 -4.842 5.138 -1.613 1.00 0.00 H new ATOM 0 HB2 TYR A 125 -4.387 2.880 -0.769 1.00 0.00 H new ATOM 0 HB3 TYR A 125 -5.314 2.172 -2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 125 -2.477 4.631 -1.773 1.00 0.00 H new ATOM 0 HD2 TYR A 125 -4.045 1.207 -3.743 1.00 0.00 H new ATOM 0 HE1 TYR A 125 -0.438 4.477 -3.128 1.00 0.00 H new ATOM 0 HE2 TYR A 125 -2.009 1.055 -5.092 1.00 0.00 H new ATOM 0 HH TYR A 125 -0.106 3.131 -5.790 1.00 0.00 H new ATOM 1041 N MET A 126 -6.948 4.074 -3.860 1.00 0.00 N ATOM 1042 CA MET A 126 -7.439 4.279 -5.239 1.00 0.00 C ATOM 1043 C MET A 126 -7.413 5.759 -5.646 1.00 0.00 C ATOM 1044 O MET A 126 -7.027 6.087 -6.775 1.00 0.00 O ATOM 1045 CB MET A 126 -8.854 3.648 -5.401 1.00 0.00 C ATOM 1046 CG MET A 126 -9.546 3.869 -6.760 1.00 0.00 C ATOM 1047 SD MET A 126 -10.300 5.505 -6.932 1.00 0.00 S ATOM 1048 CE MET A 126 -10.844 5.471 -8.638 1.00 0.00 C ATOM 0 H MET A 126 -7.565 3.497 -3.289 1.00 0.00 H new ATOM 0 HA MET A 126 -6.761 3.769 -5.923 1.00 0.00 H new ATOM 0 HB2 MET A 126 -8.772 2.575 -5.229 1.00 0.00 H new ATOM 0 HB3 MET A 126 -9.499 4.048 -4.619 1.00 0.00 H new ATOM 0 HG2 MET A 126 -8.816 3.729 -7.557 1.00 0.00 H new ATOM 0 HG3 MET A 126 -10.315 3.108 -6.895 1.00 0.00 H new ATOM 0 HE1 MET A 126 -11.328 6.416 -8.885 1.00 0.00 H new ATOM 0 HE2 MET A 126 -9.984 5.322 -9.291 1.00 0.00 H new ATOM 0 HE3 MET A 126 -11.552 4.654 -8.778 1.00 0.00 H new ATOM 1058 N THR A 127 -7.713 6.630 -4.690 1.00 0.00 N ATOM 1059 CA THR A 127 -7.771 8.078 -4.885 1.00 0.00 C ATOM 1060 C THR A 127 -6.413 8.655 -5.387 1.00 0.00 C ATOM 1061 O THR A 127 -6.364 9.737 -5.971 1.00 0.00 O ATOM 1062 CB THR A 127 -8.141 8.752 -3.547 1.00 0.00 C ATOM 1063 OG1 THR A 127 -9.174 7.983 -2.905 1.00 0.00 O ATOM 1064 CG2 THR A 127 -8.652 10.172 -3.768 1.00 0.00 C ATOM 0 H THR A 127 -7.928 6.345 -3.735 1.00 0.00 H new ATOM 0 HA THR A 127 -8.524 8.284 -5.646 1.00 0.00 H new ATOM 0 HB THR A 127 -7.247 8.796 -2.925 1.00 0.00 H new ATOM 0 HG1 THR A 127 -8.768 7.355 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 127 -8.905 10.621 -2.808 1.00 0.00 H new ATOM 0 HG22 THR A 127 -7.878 10.766 -4.254 1.00 0.00 H new ATOM 0 HG23 THR A 127 -9.539 10.145 -4.401 1.00 0.00 H new ATOM 1072 N TYR A 128 -5.315 7.908 -5.191 1.00 0.00 N ATOM 1073 CA TYR A 128 -4.001 8.386 -5.600 1.00 0.00 C ATOM 1074 C TYR A 128 -3.891 8.412 -7.137 1.00 0.00 C ATOM 1075 O TYR A 128 -2.967 9.002 -7.689 1.00 0.00 O ATOM 1076 CB TYR A 128 -2.848 7.549 -4.976 1.00 0.00 C ATOM 1077 CG TYR A 128 -2.304 6.417 -5.845 1.00 0.00 C ATOM 1078 CD1 TYR A 128 -3.074 5.312 -6.165 1.00 0.00 C ATOM 1079 CD2 TYR A 128 -1.013 6.481 -6.357 1.00 0.00 C ATOM 1080 CE1 TYR A 128 -2.588 4.308 -6.955 1.00 0.00 C ATOM 1081 CE2 TYR A 128 -0.516 5.477 -7.157 1.00 0.00 C ATOM 1082 CZ TYR A 128 -1.308 4.391 -7.452 1.00 0.00 C ATOM 1083 OH TYR A 128 -0.818 3.388 -8.249 1.00 0.00 O ATOM 0 H TYR A 128 -5.318 6.985 -4.758 1.00 0.00 H new ATOM 0 HA TYR A 128 -3.894 9.403 -5.222 1.00 0.00 H new ATOM 0 HB2 TYR A 128 -2.026 8.222 -4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 128 -3.200 7.123 -4.036 1.00 0.00 H new ATOM 0 HD1 TYR A 128 -4.081 5.242 -5.782 1.00 0.00 H new ATOM 0 HD2 TYR A 128 -0.390 7.332 -6.123 1.00 0.00 H new ATOM 0 HE1 TYR A 128 -3.206 3.454 -7.188 1.00 0.00 H new ATOM 0 HE2 TYR A 128 0.488 5.541 -7.550 1.00 0.00 H new ATOM 0 HH TYR A 128 0.095 3.609 -8.529 1.00 0.00 H new ATOM 1093 N ARG A 129 -4.839 7.759 -7.822 1.00 0.00 N ATOM 1094 CA ARG A 129 -4.828 7.728 -9.274 1.00 0.00 C ATOM 1095 C ARG A 129 -5.044 9.092 -9.901 1.00 0.00 C ATOM 1096 O ARG A 129 -4.634 9.326 -11.037 1.00 0.00 O ATOM 1097 CB ARG A 129 -5.792 6.690 -9.883 1.00 0.00 C ATOM 1098 CG ARG A 129 -5.327 5.223 -9.823 1.00 0.00 C ATOM 1099 CD ARG A 129 -3.853 5.053 -10.255 1.00 0.00 C ATOM 1100 NE ARG A 129 -3.449 5.983 -11.330 1.00 0.00 N ATOM 1101 CZ ARG A 129 -2.361 6.782 -11.219 1.00 0.00 C ATOM 1102 NH1 ARG A 129 -1.411 6.476 -10.355 1.00 0.00 N ATOM 1103 NH2 ARG A 129 -2.219 7.849 -11.995 1.00 0.00 N ATOM 0 H ARG A 129 -5.612 7.252 -7.391 1.00 0.00 H new ATOM 0 HA ARG A 129 -3.817 7.405 -9.524 1.00 0.00 H new ATOM 0 HB2 ARG A 129 -6.751 6.768 -9.370 1.00 0.00 H new ATOM 0 HB3 ARG A 129 -5.966 6.953 -10.926 1.00 0.00 H new ATOM 0 HG2 ARG A 129 -5.451 4.847 -8.807 1.00 0.00 H new ATOM 0 HG3 ARG A 129 -5.964 4.616 -10.467 1.00 0.00 H new ATOM 0 HD2 ARG A 129 -3.208 5.206 -9.390 1.00 0.00 H new ATOM 0 HD3 ARG A 129 -3.696 4.028 -10.592 1.00 0.00 H new ATOM 0 HE ARG A 129 -4.007 6.025 -12.183 1.00 0.00 H new ATOM 0 HH11 ARG A 129 -1.498 5.641 -9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 129 -0.589 7.074 -10.267 1.00 0.00 H new ATOM 0 HH21 ARG A 129 -2.934 8.076 -12.686 1.00 0.00 H new ATOM 0 HH22 ARG A 129 -1.395 8.442 -11.901 1.00 0.00 H new ATOM 1117 N ASP A 130 -5.662 9.970 -9.166 1.00 0.00 N ATOM 1118 CA ASP A 130 -5.904 11.329 -9.622 1.00 0.00 C ATOM 1119 C ASP A 130 -4.982 12.267 -8.864 1.00 0.00 C ATOM 1120 O ASP A 130 -5.200 13.478 -8.790 1.00 0.00 O ATOM 1121 CB ASP A 130 -7.375 11.714 -9.388 1.00 0.00 C ATOM 1122 CG ASP A 130 -8.344 10.857 -10.189 1.00 0.00 C ATOM 1123 OD1 ASP A 130 -8.667 9.729 -9.732 1.00 0.00 O ATOM 1124 OD2 ASP A 130 -8.784 11.304 -11.273 1.00 0.00 O ATOM 0 H ASP A 130 -6.017 9.774 -8.230 1.00 0.00 H new ATOM 0 HA ASP A 130 -5.702 11.403 -10.691 1.00 0.00 H new ATOM 0 HB2 ASP A 130 -7.606 11.620 -8.327 1.00 0.00 H new ATOM 0 HB3 ASP A 130 -7.518 12.761 -9.654 1.00 0.00 H new ATOM 1129 N TYR A 131 -3.924 11.695 -8.318 1.00 0.00 N ATOM 1130 CA TYR A 131 -2.975 12.435 -7.512 1.00 0.00 C ATOM 1131 C TYR A 131 -1.553 12.309 -8.095 1.00 0.00 C ATOM 1132 O TYR A 131 -0.821 13.298 -8.147 1.00 0.00 O ATOM 1133 CB TYR A 131 -3.053 11.855 -6.087 1.00 0.00 C ATOM 1134 CG TYR A 131 -2.108 12.409 -5.049 1.00 0.00 C ATOM 1135 CD1 TYR A 131 -2.387 13.586 -4.371 1.00 0.00 C ATOM 1136 CD2 TYR A 131 -0.955 11.715 -4.710 1.00 0.00 C ATOM 1137 CE1 TYR A 131 -1.540 14.056 -3.386 1.00 0.00 C ATOM 1138 CE2 TYR A 131 -0.103 12.179 -3.739 1.00 0.00 C ATOM 1139 CZ TYR A 131 -0.397 13.345 -3.074 1.00 0.00 C ATOM 1140 OH TYR A 131 0.447 13.798 -2.089 1.00 0.00 O ATOM 0 H TYR A 131 -3.700 10.705 -8.422 1.00 0.00 H new ATOM 0 HA TYR A 131 -3.212 13.499 -7.502 1.00 0.00 H new ATOM 0 HB2 TYR A 131 -4.071 11.997 -5.723 1.00 0.00 H new ATOM 0 HB3 TYR A 131 -2.885 10.780 -6.153 1.00 0.00 H new ATOM 0 HD1 TYR A 131 -3.279 14.143 -4.616 1.00 0.00 H new ATOM 0 HD2 TYR A 131 -0.724 10.792 -5.220 1.00 0.00 H new ATOM 0 HE1 TYR A 131 -1.770 14.973 -2.863 1.00 0.00 H new ATOM 0 HE2 TYR A 131 0.795 11.630 -3.499 1.00 0.00 H new ATOM 0 HH TYR A 131 -0.004 13.742 -1.221 1.00 0.00 H new ATOM 1150 N VAL A 132 -1.204 11.112 -8.586 1.00 0.00 N ATOM 1151 CA VAL A 132 0.087 10.830 -9.254 1.00 0.00 C ATOM 1152 C VAL A 132 -0.130 9.617 -10.158 1.00 0.00 C ATOM 1153 O VAL A 132 -0.525 9.778 -11.322 1.00 0.00 O ATOM 1154 CB VAL A 132 1.286 10.483 -8.260 1.00 0.00 C ATOM 1155 CG1 VAL A 132 2.573 10.207 -9.041 1.00 0.00 C ATOM 1156 CG2 VAL A 132 1.558 11.584 -7.244 1.00 0.00 C ATOM 1157 OXT VAL A 132 0.028 8.481 -9.675 1.00 0.00 O ATOM 0 H VAL A 132 -1.815 10.297 -8.533 1.00 0.00 H new ATOM 0 HA VAL A 132 0.377 11.736 -9.787 1.00 0.00 H new ATOM 0 HB VAL A 132 0.972 9.593 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 132 3.378 9.973 -8.345 1.00 0.00 H new ATOM 0 HG12 VAL A 132 2.417 9.363 -9.713 1.00 0.00 H new ATOM 0 HG13 VAL A 132 2.842 11.089 -9.623 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.384 11.287 -6.598 1.00 0.00 H new ATOM 0 HG22 VAL A 132 1.819 12.505 -7.766 1.00 0.00 H new ATOM 0 HG23 VAL A 132 0.666 11.750 -6.640 1.00 0.00 H new