USER MOD reduce.3.24.130724 H: found=0, std=0, add=846, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 846 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 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 68 SER OG : rot 69:sc= -0.701 USER MOD Set 2.1: A 55 HIS : no HD1:sc= -0.678 K(o=0.6,f=-1.5) USER MOD Set 2.2: A 69 SER OG : rot -29:sc= 1.28 USER MOD Set 3.1: A 45 THR OG1 : rot 179:sc= 0.503 USER MOD Set 3.2: A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 176:sc= 1.08 (180deg=1.05) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -110:sc= -0.0556 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 0.0148 (180deg=0.0145) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -169:sc= 0.225 (180deg=0.18) USER MOD Single : A 95 THR OG1 : rot -75:sc= 0.907 USER MOD Single : A 96 MET CE :methyl -170:sc= -1.55 (180deg=-1.74) USER MOD Single : A 97 LYS NZ :NH3+ -129:sc= 0 (180deg=-1.75!) USER MOD Single : A 102 CYS SG : rot -42:sc= 0.0381 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 5:sc= 0.613 USER MOD Single : A 107 LYS NZ :NH3+ -166:sc= -0.0506 (180deg=-0.391) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 153:sc= 1.1 USER MOD Single : A 114 SER OG : rot -82:sc= 0.833 USER MOD Single : A 117 SER OG : rot 113:sc= 0.0272 USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 124 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 126 THR OG1 : rot 180:sc=-0.00155 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 148 N GLY A 31 -1.893 11.856 7.139 1.00 0.00 N ATOM 149 CA GLY A 31 -0.680 11.084 6.785 1.00 0.00 C ATOM 150 C GLY A 31 -0.770 10.165 5.559 1.00 0.00 C ATOM 151 O GLY A 31 0.258 9.955 4.913 1.00 0.00 O ATOM 0 HA2 GLY A 31 0.134 11.790 6.620 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.404 10.474 7.645 1.00 0.00 H new ATOM 155 N VAL A 32 -1.952 9.598 5.251 1.00 0.00 N ATOM 156 CA VAL A 32 -2.087 8.671 4.075 1.00 0.00 C ATOM 157 C VAL A 32 -3.548 8.418 3.576 1.00 0.00 C ATOM 158 O VAL A 32 -4.463 8.136 4.353 1.00 0.00 O ATOM 159 CB VAL A 32 -1.337 7.309 4.318 1.00 0.00 C ATOM 160 CG1 VAL A 32 -1.943 6.436 5.423 1.00 0.00 C ATOM 161 CG2 VAL A 32 -1.149 6.401 3.080 1.00 0.00 C ATOM 0 H VAL A 32 -2.814 9.750 5.774 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.603 9.212 3.262 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.361 7.687 4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.363 5.519 5.521 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.925 6.980 6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.973 6.188 5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.620 5.493 3.371 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.124 6.137 2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.570 6.932 2.324 1.00 0.00 H new ATOM 171 N LEU A 33 -3.698 8.432 2.246 1.00 0.00 N ATOM 172 CA LEU A 33 -4.947 8.129 1.510 1.00 0.00 C ATOM 173 C LEU A 33 -4.839 6.673 0.883 1.00 0.00 C ATOM 174 O LEU A 33 -3.730 6.289 0.478 1.00 0.00 O ATOM 175 CB LEU A 33 -5.090 9.209 0.388 1.00 0.00 C ATOM 176 CG LEU A 33 -6.010 10.396 0.742 1.00 0.00 C ATOM 177 CD1 LEU A 33 -5.436 11.315 1.832 1.00 0.00 C ATOM 178 CD2 LEU A 33 -6.327 11.235 -0.506 1.00 0.00 C ATOM 0 H LEU A 33 -2.926 8.663 1.621 1.00 0.00 H new ATOM 0 HA LEU A 33 -5.819 8.151 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.100 9.595 0.147 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.472 8.728 -0.512 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.921 9.949 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -6.136 12.127 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.279 10.742 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.486 11.729 1.495 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.977 12.066 -0.231 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.400 11.624 -0.928 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.829 10.611 -1.246 1.00 0.00 H new ATOM 190 N LYS A 34 -5.921 5.841 0.756 1.00 0.00 N ATOM 191 CA LYS A 34 -5.770 4.458 0.212 1.00 0.00 C ATOM 192 C LYS A 34 -6.812 4.159 -0.902 1.00 0.00 C ATOM 193 O LYS A 34 -8.018 4.299 -0.688 1.00 0.00 O ATOM 194 CB LYS A 34 -5.768 3.431 1.386 1.00 0.00 C ATOM 195 CG LYS A 34 -4.908 2.163 1.184 1.00 0.00 C ATOM 196 CD LYS A 34 -5.516 1.082 0.266 1.00 0.00 C ATOM 197 CE LYS A 34 -4.534 -0.045 -0.081 1.00 0.00 C ATOM 198 NZ LYS A 34 -4.344 -0.950 1.068 1.00 0.00 N ATOM 0 H LYS A 34 -6.874 6.096 1.014 1.00 0.00 H new ATOM 0 HA LYS A 34 -4.806 4.364 -0.289 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -5.421 3.940 2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -6.796 3.121 1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -3.944 2.462 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -4.715 1.718 2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.392 0.653 0.753 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -5.861 1.550 -0.656 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.909 -0.609 -0.935 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.575 0.381 -0.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.730 -1.741 0.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -3.902 -0.428 1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.266 -1.320 1.375 1.00 0.00 H new ATOM 211 N VAL A 35 -6.354 3.731 -2.091 1.00 0.00 N ATOM 212 CA VAL A 35 -7.278 3.464 -3.239 1.00 0.00 C ATOM 213 C VAL A 35 -7.499 1.920 -3.368 1.00 0.00 C ATOM 214 O VAL A 35 -6.703 1.237 -4.012 1.00 0.00 O ATOM 215 CB VAL A 35 -6.739 4.197 -4.524 1.00 0.00 C ATOM 216 CG1 VAL A 35 -7.555 3.906 -5.797 1.00 0.00 C ATOM 217 CG2 VAL A 35 -6.683 5.740 -4.390 1.00 0.00 C ATOM 0 H VAL A 35 -5.369 3.561 -2.294 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.272 3.881 -3.079 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.733 3.787 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.122 4.447 -6.638 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.536 2.836 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.586 4.229 -5.650 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.302 6.172 -5.315 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -7.684 6.125 -4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.024 6.010 -3.565 1.00 0.00 H new ATOM 227 N ILE A 36 -8.559 1.353 -2.754 1.00 0.00 N ATOM 228 CA ILE A 36 -8.856 -0.122 -2.855 1.00 0.00 C ATOM 229 C ILE A 36 -9.554 -0.478 -4.217 1.00 0.00 C ATOM 230 O ILE A 36 -10.501 0.196 -4.640 1.00 0.00 O ATOM 231 CB ILE A 36 -9.485 -0.817 -1.568 1.00 0.00 C ATOM 232 CG1 ILE A 36 -8.534 -1.836 -0.864 1.00 0.00 C ATOM 233 CG2 ILE A 36 -10.845 -1.524 -1.787 1.00 0.00 C ATOM 234 CD1 ILE A 36 -8.142 -3.112 -1.643 1.00 0.00 C ATOM 0 H ILE A 36 -9.227 1.874 -2.185 1.00 0.00 H new ATOM 0 HA ILE A 36 -7.877 -0.602 -2.868 1.00 0.00 H new ATOM 0 HB ILE A 36 -9.647 0.049 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.617 -1.310 -0.599 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.005 -2.145 0.069 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -11.182 -1.963 -0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -11.581 -0.798 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -10.731 -2.309 -2.534 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.480 -3.723 -1.030 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -9.040 -3.681 -1.885 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -7.630 -2.833 -2.564 1.00 0.00 H new ATOM 246 N LYS A 37 -9.096 -1.551 -4.880 1.00 0.00 N ATOM 247 CA LYS A 37 -9.743 -2.050 -6.140 1.00 0.00 C ATOM 248 C LYS A 37 -10.342 -3.481 -5.937 1.00 0.00 C ATOM 249 O LYS A 37 -11.560 -3.679 -5.946 1.00 0.00 O ATOM 250 CB LYS A 37 -8.749 -1.909 -7.330 1.00 0.00 C ATOM 251 CG LYS A 37 -9.311 -2.346 -8.700 1.00 0.00 C ATOM 252 CD LYS A 37 -8.326 -2.086 -9.854 1.00 0.00 C ATOM 253 CE LYS A 37 -8.885 -2.590 -11.192 1.00 0.00 C ATOM 254 NZ LYS A 37 -7.911 -2.338 -12.270 1.00 0.00 N ATOM 0 H LYS A 37 -8.288 -2.097 -4.582 1.00 0.00 H new ATOM 0 HA LYS A 37 -10.604 -1.433 -6.397 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -8.432 -0.868 -7.399 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.859 -2.500 -7.113 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.554 -3.408 -8.667 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.241 -1.812 -8.894 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.119 -1.018 -9.924 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.378 -2.582 -9.644 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.101 -3.656 -11.127 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.826 -2.087 -11.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.296 -2.682 -13.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.726 -1.317 -12.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.023 -2.837 -12.060 1.00 0.00 H new ATOM 267 N ARG A 38 -9.465 -4.471 -5.756 1.00 0.00 N ATOM 268 CA ARG A 38 -9.832 -5.884 -5.542 1.00 0.00 C ATOM 269 C ARG A 38 -9.754 -6.133 -3.992 1.00 0.00 C ATOM 270 O ARG A 38 -8.656 -6.314 -3.460 1.00 0.00 O ATOM 271 CB ARG A 38 -8.852 -6.788 -6.352 1.00 0.00 C ATOM 272 CG ARG A 38 -8.752 -6.587 -7.889 1.00 0.00 C ATOM 273 CD ARG A 38 -10.079 -6.720 -8.653 1.00 0.00 C ATOM 274 NE ARG A 38 -9.799 -6.558 -10.103 1.00 0.00 N ATOM 275 CZ ARG A 38 -10.710 -6.378 -11.051 1.00 0.00 C ATOM 276 NH1 ARG A 38 -11.991 -6.318 -10.837 1.00 0.00 N ATOM 277 NH2 ARG A 38 -10.289 -6.253 -12.259 1.00 0.00 N ATOM 0 H ARG A 38 -8.457 -4.316 -5.753 1.00 0.00 H new ATOM 0 HA ARG A 38 -10.837 -6.122 -5.891 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -7.854 -6.651 -5.935 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.133 -7.826 -6.172 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.336 -5.598 -8.084 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -8.046 -7.314 -8.289 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.533 -7.692 -8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.789 -5.964 -8.316 1.00 0.00 H new ATOM 0 HE ARG A 38 -8.822 -6.588 -10.395 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -12.355 -6.412 -9.889 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.632 -6.177 -11.617 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -9.289 -6.294 -12.457 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -10.955 -6.113 -13.019 1.00 0.00 H new ATOM 290 N GLU A 39 -10.863 -6.038 -3.234 1.00 0.00 N ATOM 291 CA GLU A 39 -10.842 -6.344 -1.758 1.00 0.00 C ATOM 292 C GLU A 39 -10.564 -7.874 -1.425 1.00 0.00 C ATOM 293 O GLU A 39 -10.670 -8.734 -2.307 1.00 0.00 O ATOM 294 CB GLU A 39 -12.219 -5.984 -1.132 1.00 0.00 C ATOM 295 CG GLU A 39 -12.680 -4.510 -1.198 1.00 0.00 C ATOM 296 CD GLU A 39 -14.128 -4.298 -0.778 1.00 0.00 C ATOM 297 OE1 GLU A 39 -14.475 -3.782 0.280 1.00 0.00 O ATOM 298 OE2 GLU A 39 -15.005 -4.772 -1.704 1.00 0.00 O ATOM 0 H GLU A 39 -11.776 -5.759 -3.593 1.00 0.00 H new ATOM 0 HA GLU A 39 -10.026 -5.750 -1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -12.978 -6.594 -1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.198 -6.281 -0.084 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.034 -3.908 -0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -12.550 -4.144 -2.216 1.00 0.00 H new ATOM 306 N GLY A 40 -10.263 -8.250 -0.158 1.00 0.00 N ATOM 307 CA GLY A 40 -9.988 -9.664 0.212 1.00 0.00 C ATOM 308 C GLY A 40 -11.170 -10.666 0.182 1.00 0.00 C ATOM 309 O GLY A 40 -12.344 -10.295 0.079 1.00 0.00 O ATOM 0 H GLY A 40 -10.204 -7.598 0.624 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.214 -10.040 -0.457 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.570 -9.671 1.219 1.00 0.00 H new ATOM 313 N THR A 41 -10.849 -11.957 0.336 1.00 0.00 N ATOM 314 CA THR A 41 -11.869 -13.058 0.268 1.00 0.00 C ATOM 315 C THR A 41 -12.716 -13.211 1.574 1.00 0.00 C ATOM 316 O THR A 41 -13.907 -12.893 1.607 1.00 0.00 O ATOM 317 CB THR A 41 -11.198 -14.400 -0.189 1.00 0.00 C ATOM 318 OG1 THR A 41 -10.016 -14.686 0.555 1.00 0.00 O ATOM 319 CG2 THR A 41 -10.792 -14.435 -1.665 1.00 0.00 C ATOM 0 H THR A 41 -9.898 -12.283 0.509 1.00 0.00 H new ATOM 0 HA THR A 41 -12.598 -12.774 -0.491 1.00 0.00 H new ATOM 0 HB THR A 41 -11.978 -15.140 -0.013 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.629 -15.530 0.242 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.336 -15.398 -1.894 1.00 0.00 H new ATOM 0 HG22 THR A 41 -11.675 -14.293 -2.289 1.00 0.00 H new ATOM 0 HG23 THR A 41 -10.075 -13.638 -1.864 1.00 0.00 H new ATOM 327 N GLY A 42 -12.089 -13.697 2.644 1.00 0.00 N ATOM 328 CA GLY A 42 -12.711 -13.874 3.978 1.00 0.00 C ATOM 329 C GLY A 42 -11.736 -14.395 5.053 1.00 0.00 C ATOM 330 O GLY A 42 -12.015 -15.385 5.730 1.00 0.00 O ATOM 0 H GLY A 42 -11.112 -13.989 2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -13.123 -12.920 4.306 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -13.546 -14.569 3.890 1.00 0.00 H new ATOM 334 N THR A 43 -10.605 -13.695 5.223 1.00 0.00 N ATOM 335 CA THR A 43 -9.486 -14.146 6.098 1.00 0.00 C ATOM 336 C THR A 43 -8.750 -13.064 6.963 1.00 0.00 C ATOM 337 O THR A 43 -7.671 -13.354 7.480 1.00 0.00 O ATOM 338 CB THR A 43 -8.500 -14.898 5.148 1.00 0.00 C ATOM 339 OG1 THR A 43 -8.284 -14.481 3.805 1.00 0.00 O ATOM 340 CG2 THR A 43 -8.894 -16.371 4.921 1.00 0.00 C ATOM 0 H THR A 43 -10.430 -12.801 4.764 1.00 0.00 H new ATOM 0 HA THR A 43 -9.913 -14.770 6.884 1.00 0.00 H new ATOM 0 HB THR A 43 -7.608 -14.678 5.734 1.00 0.00 H new ATOM 0 HG1 THR A 43 -8.675 -15.138 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 43 -8.173 -16.842 4.253 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.902 -16.897 5.876 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.887 -16.417 4.473 1.00 0.00 H new ATOM 348 N GLU A 44 -9.308 -11.850 7.190 1.00 0.00 N ATOM 349 CA GLU A 44 -8.736 -10.826 8.123 1.00 0.00 C ATOM 350 C GLU A 44 -7.253 -10.300 7.967 1.00 0.00 C ATOM 351 O GLU A 44 -6.533 -10.599 7.008 1.00 0.00 O ATOM 352 CB GLU A 44 -9.063 -11.349 9.570 1.00 0.00 C ATOM 353 CG GLU A 44 -10.427 -10.873 10.101 1.00 0.00 C ATOM 354 CD GLU A 44 -10.674 -11.184 11.583 1.00 0.00 C ATOM 355 OE1 GLU A 44 -10.170 -12.131 12.181 1.00 0.00 O ATOM 356 OE2 GLU A 44 -11.526 -10.287 12.154 1.00 0.00 O ATOM 0 H GLU A 44 -10.168 -11.545 6.735 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.215 -9.886 7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -9.043 -12.439 9.567 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.281 -11.018 10.253 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.506 -9.796 9.950 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -11.216 -11.337 9.509 1.00 0.00 H new ATOM 364 N THR A 45 -6.890 -9.395 8.902 1.00 0.00 N ATOM 365 CA THR A 45 -5.506 -8.860 9.086 1.00 0.00 C ATOM 366 C THR A 45 -4.971 -9.274 10.503 1.00 0.00 C ATOM 367 O THR A 45 -5.581 -8.875 11.505 1.00 0.00 O ATOM 368 CB THR A 45 -5.299 -7.321 8.979 1.00 0.00 C ATOM 369 OG1 THR A 45 -6.164 -6.558 9.807 1.00 0.00 O ATOM 370 CG2 THR A 45 -5.483 -6.782 7.574 1.00 0.00 C ATOM 0 H THR A 45 -7.557 -9.003 9.567 1.00 0.00 H new ATOM 0 HA THR A 45 -4.970 -9.296 8.243 1.00 0.00 H new ATOM 0 HB THR A 45 -4.266 -7.206 9.308 1.00 0.00 H new ATOM 0 HG1 THR A 45 -5.964 -5.605 9.698 1.00 0.00 H new ATOM 0 HG21 THR A 45 -5.324 -5.704 7.574 1.00 0.00 H new ATOM 0 HG22 THR A 45 -4.763 -7.255 6.906 1.00 0.00 H new ATOM 0 HG23 THR A 45 -6.494 -6.999 7.230 1.00 0.00 H new ATOM 378 N PRO A 46 -3.848 -10.021 10.666 1.00 0.00 N ATOM 379 CA PRO A 46 -3.257 -10.282 12.019 1.00 0.00 C ATOM 380 C PRO A 46 -2.655 -9.059 12.812 1.00 0.00 C ATOM 381 O PRO A 46 -2.492 -9.143 14.029 1.00 0.00 O ATOM 382 CB PRO A 46 -2.211 -11.343 11.685 1.00 0.00 C ATOM 383 CG PRO A 46 -2.837 -12.106 10.521 1.00 0.00 C ATOM 384 CD PRO A 46 -3.386 -10.989 9.651 1.00 0.00 C ATOM 0 HA PRO A 46 -4.030 -10.575 12.730 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.259 -10.893 11.404 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.017 -11.997 12.535 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -2.101 -12.710 9.989 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -3.623 -12.783 10.856 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.623 -10.565 8.998 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.199 -11.331 9.011 1.00 0.00 H new ATOM 392 N MET A 47 -2.308 -7.953 12.125 1.00 0.00 N ATOM 393 CA MET A 47 -1.850 -6.662 12.755 1.00 0.00 C ATOM 394 C MET A 47 -0.364 -6.586 13.218 1.00 0.00 C ATOM 395 O MET A 47 0.475 -7.350 12.732 1.00 0.00 O ATOM 396 CB MET A 47 -3.002 -6.060 13.613 1.00 0.00 C ATOM 397 CG MET A 47 -4.287 -5.886 12.777 1.00 0.00 C ATOM 398 SD MET A 47 -5.439 -4.792 13.631 1.00 0.00 S ATOM 399 CE MET A 47 -6.131 -3.873 12.253 1.00 0.00 C ATOM 0 H MET A 47 -2.332 -7.912 11.106 1.00 0.00 H new ATOM 0 HA MET A 47 -1.689 -5.908 11.984 1.00 0.00 H new ATOM 0 HB2 MET A 47 -3.204 -6.711 14.464 1.00 0.00 H new ATOM 0 HB3 MET A 47 -2.693 -5.095 14.016 1.00 0.00 H new ATOM 0 HG2 MET A 47 -4.040 -5.475 11.798 1.00 0.00 H new ATOM 0 HG3 MET A 47 -4.753 -6.856 12.607 1.00 0.00 H new ATOM 0 HE1 MET A 47 -6.862 -3.155 12.625 1.00 0.00 H new ATOM 0 HE2 MET A 47 -5.334 -3.342 11.733 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.618 -4.563 11.564 1.00 0.00 H new ATOM 409 N ILE A 48 -0.006 -5.570 14.034 1.00 0.00 N ATOM 410 CA ILE A 48 1.414 -5.241 14.374 1.00 0.00 C ATOM 411 C ILE A 48 2.405 -6.431 14.624 1.00 0.00 C ATOM 412 O ILE A 48 2.181 -7.330 15.437 1.00 0.00 O ATOM 413 CB ILE A 48 1.522 -4.018 15.367 1.00 0.00 C ATOM 414 CG1 ILE A 48 1.925 -2.715 14.618 1.00 0.00 C ATOM 415 CG2 ILE A 48 2.422 -4.192 16.618 1.00 0.00 C ATOM 416 CD1 ILE A 48 3.321 -2.616 13.977 1.00 0.00 C ATOM 0 H ILE A 48 -0.684 -4.951 14.479 1.00 0.00 H new ATOM 0 HA ILE A 48 1.833 -4.897 13.428 1.00 0.00 H new ATOM 0 HB ILE A 48 0.510 -3.953 15.766 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.190 -2.549 13.830 1.00 0.00 H new ATOM 0 HG13 ILE A 48 1.829 -1.889 15.323 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.403 -3.277 17.210 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.051 -5.021 17.220 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.445 -4.400 16.304 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.433 -1.643 13.498 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.084 -2.732 14.747 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.436 -3.403 13.231 1.00 0.00 H new ATOM 428 N GLY A 49 3.498 -6.382 13.862 1.00 0.00 N ATOM 429 CA GLY A 49 4.528 -7.451 13.861 1.00 0.00 C ATOM 430 C GLY A 49 4.308 -8.712 12.978 1.00 0.00 C ATOM 431 O GLY A 49 5.156 -9.604 13.065 1.00 0.00 O ATOM 0 H GLY A 49 3.705 -5.610 13.228 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.472 -6.998 13.557 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.653 -7.788 14.890 1.00 0.00 H new ATOM 435 N ASP A 50 3.270 -8.834 12.117 1.00 0.00 N ATOM 436 CA ASP A 50 3.068 -10.038 11.274 1.00 0.00 C ATOM 437 C ASP A 50 4.029 -10.103 10.030 1.00 0.00 C ATOM 438 O ASP A 50 4.346 -9.073 9.427 1.00 0.00 O ATOM 439 CB ASP A 50 1.543 -10.136 10.952 1.00 0.00 C ATOM 440 CG ASP A 50 0.792 -9.122 10.067 1.00 0.00 C ATOM 441 OD1 ASP A 50 -0.410 -8.888 10.150 1.00 0.00 O ATOM 442 OD2 ASP A 50 1.575 -8.543 9.135 1.00 0.00 O ATOM 0 H ASP A 50 2.559 -8.114 11.987 1.00 0.00 H new ATOM 0 HA ASP A 50 3.359 -10.936 11.818 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.388 -11.114 10.497 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.027 -10.146 11.912 1.00 0.00 H new ATOM 448 N ARG A 51 4.521 -11.298 9.642 1.00 0.00 N ATOM 449 CA ARG A 51 5.394 -11.451 8.428 1.00 0.00 C ATOM 450 C ARG A 51 4.532 -11.316 7.139 1.00 0.00 C ATOM 451 O ARG A 51 3.445 -11.879 7.099 1.00 0.00 O ATOM 452 CB ARG A 51 6.221 -12.762 8.523 1.00 0.00 C ATOM 453 CG ARG A 51 5.452 -14.084 8.254 1.00 0.00 C ATOM 454 CD ARG A 51 6.255 -15.365 8.536 1.00 0.00 C ATOM 455 NE ARG A 51 6.402 -15.575 10.001 1.00 0.00 N ATOM 456 CZ ARG A 51 7.060 -16.572 10.575 1.00 0.00 C ATOM 457 NH1 ARG A 51 7.672 -17.519 9.927 1.00 0.00 N ATOM 458 NH2 ARG A 51 7.089 -16.598 11.860 1.00 0.00 N ATOM 0 H ARG A 51 4.339 -12.171 10.137 1.00 0.00 H new ATOM 0 HA ARG A 51 6.130 -10.649 8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.047 -12.697 7.815 1.00 0.00 H new ATOM 0 HB3 ARG A 51 6.659 -12.818 9.519 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.550 -14.095 8.867 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.130 -14.095 7.213 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.752 -16.222 8.088 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.239 -15.294 8.072 1.00 0.00 H new ATOM 0 HE ARG A 51 5.958 -14.893 10.617 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.665 -17.526 8.907 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.159 -18.255 10.439 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.617 -15.869 12.396 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.584 -17.347 12.344 1.00 0.00 H new ATOM 471 N VAL A 52 4.994 -10.611 6.104 1.00 0.00 N ATOM 472 CA VAL A 52 4.157 -10.209 4.947 1.00 0.00 C ATOM 473 C VAL A 52 4.872 -10.442 3.575 1.00 0.00 C ATOM 474 O VAL A 52 6.063 -10.145 3.425 1.00 0.00 O ATOM 475 CB VAL A 52 3.952 -8.672 5.287 1.00 0.00 C ATOM 476 CG1 VAL A 52 3.789 -7.724 4.105 1.00 0.00 C ATOM 477 CG2 VAL A 52 2.802 -8.437 6.280 1.00 0.00 C ATOM 0 H VAL A 52 5.962 -10.296 6.035 1.00 0.00 H new ATOM 0 HA VAL A 52 3.234 -10.776 4.826 1.00 0.00 H new ATOM 0 HB VAL A 52 4.910 -8.417 5.741 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.657 -6.706 4.471 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.678 -7.771 3.476 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.916 -8.016 3.522 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.705 -7.370 6.478 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.872 -8.813 5.855 1.00 0.00 H new ATOM 0 HG23 VAL A 52 3.013 -8.961 7.212 1.00 0.00 H new ATOM 487 N PHE A 53 4.109 -10.828 2.535 1.00 0.00 N ATOM 488 CA PHE A 53 4.632 -11.032 1.169 1.00 0.00 C ATOM 489 C PHE A 53 3.736 -10.138 0.228 1.00 0.00 C ATOM 490 O PHE A 53 2.584 -10.435 -0.105 1.00 0.00 O ATOM 491 CB PHE A 53 4.648 -12.549 0.840 1.00 0.00 C ATOM 492 CG PHE A 53 5.298 -13.505 1.870 1.00 0.00 C ATOM 493 CD1 PHE A 53 6.683 -13.517 2.053 1.00 0.00 C ATOM 494 CD2 PHE A 53 4.490 -14.274 2.720 1.00 0.00 C ATOM 495 CE1 PHE A 53 7.255 -14.286 3.064 1.00 0.00 C ATOM 496 CE2 PHE A 53 5.062 -15.041 3.732 1.00 0.00 C ATOM 497 CZ PHE A 53 6.444 -15.047 3.903 1.00 0.00 C ATOM 0 H PHE A 53 3.108 -11.008 2.618 1.00 0.00 H new ATOM 0 HA PHE A 53 5.669 -10.722 1.037 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.617 -12.870 0.690 1.00 0.00 H new ATOM 0 HB3 PHE A 53 5.165 -12.680 -0.111 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.315 -12.926 1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 53 3.418 -14.271 2.589 1.00 0.00 H new ATOM 0 HE1 PHE A 53 8.327 -14.292 3.197 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.434 -15.631 4.384 1.00 0.00 H new ATOM 0 HZ PHE A 53 6.888 -15.642 4.687 1.00 0.00 H new ATOM 507 N VAL A 54 4.306 -8.989 -0.125 1.00 0.00 N ATOM 508 CA VAL A 54 3.689 -7.879 -0.920 1.00 0.00 C ATOM 509 C VAL A 54 4.182 -7.871 -2.398 1.00 0.00 C ATOM 510 O VAL A 54 5.167 -8.507 -2.789 1.00 0.00 O ATOM 511 CB VAL A 54 4.090 -6.463 -0.229 1.00 0.00 C ATOM 512 CG1 VAL A 54 5.523 -6.416 0.350 1.00 0.00 C ATOM 513 CG2 VAL A 54 4.191 -5.175 -1.083 1.00 0.00 C ATOM 0 H VAL A 54 5.267 -8.774 0.141 1.00 0.00 H new ATOM 0 HA VAL A 54 2.609 -8.029 -0.928 1.00 0.00 H new ATOM 0 HB VAL A 54 3.242 -6.453 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.705 -5.436 0.791 1.00 0.00 H new ATOM 0 HG12 VAL A 54 5.631 -7.184 1.116 1.00 0.00 H new ATOM 0 HG13 VAL A 54 6.244 -6.595 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 54 4.469 -4.336 -0.445 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.948 -5.309 -1.856 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.227 -4.972 -1.550 1.00 0.00 H new ATOM 523 N HIS A 55 3.467 -7.081 -3.218 1.00 0.00 N ATOM 524 CA HIS A 55 4.059 -6.623 -4.514 1.00 0.00 C ATOM 525 C HIS A 55 3.828 -5.079 -4.650 1.00 0.00 C ATOM 526 O HIS A 55 2.689 -4.625 -4.483 1.00 0.00 O ATOM 527 CB HIS A 55 3.574 -7.393 -5.781 1.00 0.00 C ATOM 528 CG HIS A 55 4.604 -7.954 -6.753 1.00 0.00 C ATOM 529 ND1 HIS A 55 5.906 -7.530 -6.930 1.00 0.00 N ATOM 530 CD2 HIS A 55 4.291 -8.968 -7.667 1.00 0.00 C ATOM 531 CE1 HIS A 55 6.277 -8.375 -7.953 1.00 0.00 C ATOM 532 NE2 HIS A 55 5.387 -9.283 -8.445 1.00 0.00 N ATOM 0 H HIS A 55 2.520 -6.751 -3.031 1.00 0.00 H new ATOM 0 HA HIS A 55 5.123 -6.854 -4.473 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.956 -8.225 -5.442 1.00 0.00 H new ATOM 0 HB3 HIS A 55 2.925 -6.722 -6.343 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.323 -9.440 -7.752 1.00 0.00 H new ATOM 0 HE1 HIS A 55 7.274 -8.318 -8.365 1.00 0.00 H new ATOM 0 HE2 HIS A 55 5.498 -9.988 -9.174 1.00 0.00 H new ATOM 540 N TYR A 56 4.881 -4.269 -4.915 1.00 0.00 N ATOM 541 CA TYR A 56 4.722 -2.780 -5.034 1.00 0.00 C ATOM 542 C TYR A 56 5.133 -2.185 -6.455 1.00 0.00 C ATOM 543 O TYR A 56 5.996 -2.710 -7.164 1.00 0.00 O ATOM 544 CB TYR A 56 5.479 -1.908 -3.967 1.00 0.00 C ATOM 545 CG TYR A 56 7.005 -1.824 -3.986 1.00 0.00 C ATOM 546 CD1 TYR A 56 7.623 -0.919 -4.854 1.00 0.00 C ATOM 547 CD2 TYR A 56 7.770 -2.493 -3.041 1.00 0.00 C ATOM 548 CE1 TYR A 56 8.979 -0.677 -4.760 1.00 0.00 C ATOM 549 CE2 TYR A 56 9.129 -2.204 -2.916 1.00 0.00 C ATOM 550 CZ TYR A 56 9.736 -1.298 -3.777 1.00 0.00 C ATOM 551 OH TYR A 56 11.059 -0.989 -3.630 1.00 0.00 O ATOM 0 H TYR A 56 5.835 -4.602 -5.050 1.00 0.00 H new ATOM 0 HA TYR A 56 3.648 -2.699 -4.865 1.00 0.00 H new ATOM 0 HB2 TYR A 56 5.098 -0.890 -4.052 1.00 0.00 H new ATOM 0 HB3 TYR A 56 5.188 -2.276 -2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 56 7.037 -0.406 -5.602 1.00 0.00 H new ATOM 0 HD2 TYR A 56 7.314 -3.236 -2.403 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.453 -0.000 -5.456 1.00 0.00 H new ATOM 0 HE2 TYR A 56 9.712 -2.687 -2.146 1.00 0.00 H new ATOM 0 HH TYR A 56 11.438 -1.514 -2.895 1.00 0.00 H new ATOM 561 N THR A 57 4.572 -1.019 -6.806 1.00 0.00 N ATOM 562 CA THR A 57 5.124 -0.083 -7.862 1.00 0.00 C ATOM 563 C THR A 57 5.263 1.286 -7.114 1.00 0.00 C ATOM 564 O THR A 57 4.330 1.633 -6.390 1.00 0.00 O ATOM 565 CB THR A 57 4.309 0.173 -9.165 1.00 0.00 C ATOM 566 OG1 THR A 57 4.030 -1.060 -9.812 1.00 0.00 O ATOM 567 CG2 THR A 57 5.113 1.051 -10.156 1.00 0.00 C ATOM 0 H THR A 57 3.714 -0.673 -6.376 1.00 0.00 H new ATOM 0 HA THR A 57 6.027 -0.559 -8.244 1.00 0.00 H new ATOM 0 HB THR A 57 3.387 0.681 -8.882 1.00 0.00 H new ATOM 0 HG1 THR A 57 3.516 -0.892 -10.629 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.523 1.216 -11.058 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.340 2.010 -9.691 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.043 0.546 -10.418 1.00 0.00 H new ATOM 575 N GLY A 58 6.320 2.107 -7.263 1.00 0.00 N ATOM 576 CA GLY A 58 6.390 3.391 -6.520 1.00 0.00 C ATOM 577 C GLY A 58 7.123 4.578 -7.191 1.00 0.00 C ATOM 578 O GLY A 58 8.105 4.448 -7.926 1.00 0.00 O ATOM 0 H GLY A 58 7.117 1.918 -7.870 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.370 3.708 -6.303 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.874 3.197 -5.563 1.00 0.00 H new ATOM 582 N TRP A 59 6.569 5.757 -6.896 1.00 0.00 N ATOM 583 CA TRP A 59 6.978 7.066 -7.454 1.00 0.00 C ATOM 584 C TRP A 59 7.120 8.204 -6.401 1.00 0.00 C ATOM 585 O TRP A 59 6.469 8.234 -5.350 1.00 0.00 O ATOM 586 CB TRP A 59 6.025 7.641 -8.569 1.00 0.00 C ATOM 587 CG TRP A 59 5.324 6.697 -9.553 1.00 0.00 C ATOM 588 CD1 TRP A 59 5.707 6.624 -10.896 1.00 0.00 C ATOM 589 CD2 TRP A 59 4.346 5.720 -9.391 1.00 0.00 C ATOM 590 NE1 TRP A 59 5.067 5.584 -11.579 1.00 0.00 N ATOM 591 CE2 TRP A 59 4.239 5.027 -10.626 1.00 0.00 C ATOM 592 CE3 TRP A 59 3.599 5.269 -8.262 1.00 0.00 C ATOM 593 CZ2 TRP A 59 3.460 3.855 -10.711 1.00 0.00 C ATOM 594 CZ3 TRP A 59 2.791 4.156 -8.400 1.00 0.00 C ATOM 595 CH2 TRP A 59 2.720 3.452 -9.602 1.00 0.00 C ATOM 0 H TRP A 59 5.794 5.838 -6.238 1.00 0.00 H new ATOM 0 HA TRP A 59 7.948 6.806 -7.878 1.00 0.00 H new ATOM 0 HB2 TRP A 59 5.248 8.215 -8.064 1.00 0.00 H new ATOM 0 HB3 TRP A 59 6.609 8.346 -9.160 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.418 7.296 -11.355 1.00 0.00 H new ATOM 0 HE1 TRP A 59 5.185 5.303 -12.553 1.00 0.00 H new ATOM 0 HE3 TRP A 59 3.664 5.788 -7.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 3.437 3.278 -11.623 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 2.201 3.824 -7.558 1.00 0.00 H new ATOM 0 HH2 TRP A 59 2.083 2.583 -9.674 1.00 0.00 H new ATOM 606 N LEU A 60 7.984 9.176 -6.726 1.00 0.00 N ATOM 607 CA LEU A 60 8.089 10.437 -5.953 1.00 0.00 C ATOM 608 C LEU A 60 6.978 11.421 -6.448 1.00 0.00 C ATOM 609 O LEU A 60 6.331 11.241 -7.490 1.00 0.00 O ATOM 610 CB LEU A 60 9.512 11.035 -6.155 1.00 0.00 C ATOM 611 CG LEU A 60 10.131 11.964 -5.087 1.00 0.00 C ATOM 612 CD1 LEU A 60 10.016 11.454 -3.643 1.00 0.00 C ATOM 613 CD2 LEU A 60 11.626 12.152 -5.403 1.00 0.00 C ATOM 0 H LEU A 60 8.624 9.120 -7.518 1.00 0.00 H new ATOM 0 HA LEU A 60 7.942 10.258 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 60 10.197 10.198 -6.289 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.498 11.589 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 60 9.563 12.893 -5.137 1.00 0.00 H new ATOM 0 HD11 LEU A 60 10.478 12.172 -2.966 1.00 0.00 H new ATOM 0 HD12 LEU A 60 8.964 11.334 -3.382 1.00 0.00 H new ATOM 0 HD13 LEU A 60 10.524 10.493 -3.555 1.00 0.00 H new ATOM 0 HD21 LEU A 60 12.076 12.806 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 60 12.126 11.184 -5.386 1.00 0.00 H new ATOM 0 HD23 LEU A 60 11.736 12.599 -6.391 1.00 0.00 H new ATOM 625 N LEU A 61 6.814 12.524 -5.724 1.00 0.00 N ATOM 626 CA LEU A 61 5.819 13.575 -6.079 1.00 0.00 C ATOM 627 C LEU A 61 5.979 14.278 -7.462 1.00 0.00 C ATOM 628 O LEU A 61 4.982 14.728 -8.032 1.00 0.00 O ATOM 629 CB LEU A 61 5.554 14.540 -4.890 1.00 0.00 C ATOM 630 CG LEU A 61 6.529 15.688 -4.488 1.00 0.00 C ATOM 631 CD1 LEU A 61 7.986 15.246 -4.284 1.00 0.00 C ATOM 632 CD2 LEU A 61 6.479 16.901 -5.431 1.00 0.00 C ATOM 0 H LEU A 61 7.351 12.729 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 61 4.901 13.014 -6.257 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.589 15.009 -5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.434 13.914 -4.006 1.00 0.00 H new ATOM 0 HG LEU A 61 6.146 15.998 -3.515 1.00 0.00 H new ATOM 0 HD11 LEU A 61 8.592 16.108 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 61 8.032 14.500 -3.491 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.369 14.816 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.184 17.658 -5.088 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.746 16.588 -6.441 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.472 17.318 -5.434 1.00 0.00 H new ATOM 644 N ASP A 62 7.203 14.342 -8.021 1.00 0.00 N ATOM 645 CA ASP A 62 7.395 14.847 -9.414 1.00 0.00 C ATOM 646 C ASP A 62 7.011 13.787 -10.540 1.00 0.00 C ATOM 647 O ASP A 62 7.298 14.039 -11.713 1.00 0.00 O ATOM 648 CB ASP A 62 8.883 15.302 -9.496 1.00 0.00 C ATOM 649 CG ASP A 62 9.216 16.389 -10.518 1.00 0.00 C ATOM 650 OD1 ASP A 62 9.689 17.474 -10.197 1.00 0.00 O ATOM 651 OD2 ASP A 62 8.962 16.016 -11.805 1.00 0.00 O ATOM 0 H ASP A 62 8.063 14.060 -7.550 1.00 0.00 H new ATOM 0 HA ASP A 62 6.714 15.674 -9.615 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.184 15.658 -8.511 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.494 14.427 -9.719 1.00 0.00 H new ATOM 657 N GLY A 63 6.377 12.627 -10.231 1.00 0.00 N ATOM 658 CA GLY A 63 6.088 11.554 -11.252 1.00 0.00 C ATOM 659 C GLY A 63 7.333 10.794 -11.765 1.00 0.00 C ATOM 660 O GLY A 63 7.432 10.417 -12.932 1.00 0.00 O ATOM 0 H GLY A 63 6.052 12.399 -9.291 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.395 10.835 -10.816 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.581 12.009 -12.103 1.00 0.00 H new ATOM 664 N THR A 64 8.254 10.545 -10.835 1.00 0.00 N ATOM 665 CA THR A 64 9.548 9.886 -11.101 1.00 0.00 C ATOM 666 C THR A 64 9.490 8.472 -10.466 1.00 0.00 C ATOM 667 O THR A 64 9.417 8.332 -9.238 1.00 0.00 O ATOM 668 CB THR A 64 10.682 10.771 -10.504 1.00 0.00 C ATOM 669 OG1 THR A 64 10.629 12.111 -10.990 1.00 0.00 O ATOM 670 CG2 THR A 64 12.066 10.244 -10.874 1.00 0.00 C ATOM 0 H THR A 64 8.127 10.797 -9.855 1.00 0.00 H new ATOM 0 HA THR A 64 9.751 9.773 -12.166 1.00 0.00 H new ATOM 0 HB THR A 64 10.524 10.742 -9.426 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.356 12.633 -10.590 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.829 10.889 -10.439 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.184 9.231 -10.489 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.174 10.235 -11.959 1.00 0.00 H new ATOM 678 N LYS A 65 9.532 7.427 -11.300 1.00 0.00 N ATOM 679 CA LYS A 65 9.445 6.031 -10.813 1.00 0.00 C ATOM 680 C LYS A 65 10.820 5.516 -10.246 1.00 0.00 C ATOM 681 O LYS A 65 11.638 5.002 -11.017 1.00 0.00 O ATOM 682 CB LYS A 65 8.909 5.138 -11.957 1.00 0.00 C ATOM 683 CG LYS A 65 8.546 3.703 -11.488 1.00 0.00 C ATOM 684 CD LYS A 65 7.468 3.059 -12.386 1.00 0.00 C ATOM 685 CE LYS A 65 8.046 2.407 -13.654 1.00 0.00 C ATOM 686 NZ LYS A 65 7.032 1.514 -14.246 1.00 0.00 N ATOM 0 H LYS A 65 9.625 7.513 -12.312 1.00 0.00 H new ATOM 0 HA LYS A 65 8.751 5.986 -9.974 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.026 5.606 -12.392 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.659 5.078 -12.745 1.00 0.00 H new ATOM 0 HG2 LYS A 65 9.442 3.082 -11.494 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.188 3.737 -10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.928 2.306 -11.812 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.743 3.820 -12.675 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.336 3.174 -14.372 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.946 1.843 -13.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.418 1.071 -15.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 6.777 0.776 -13.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.185 2.065 -14.492 1.00 0.00 H new ATOM 699 N PHE A 66 11.130 5.658 -8.939 1.00 0.00 N ATOM 700 CA PHE A 66 12.364 5.090 -8.349 1.00 0.00 C ATOM 701 C PHE A 66 12.376 3.534 -8.254 1.00 0.00 C ATOM 702 O PHE A 66 13.477 2.976 -8.307 1.00 0.00 O ATOM 703 CB PHE A 66 12.678 5.775 -6.987 1.00 0.00 C ATOM 704 CG PHE A 66 11.603 5.692 -5.887 1.00 0.00 C ATOM 705 CD1 PHE A 66 11.395 4.516 -5.155 1.00 0.00 C ATOM 706 CD2 PHE A 66 10.751 6.779 -5.696 1.00 0.00 C ATOM 707 CE1 PHE A 66 10.315 4.415 -4.280 1.00 0.00 C ATOM 708 CE2 PHE A 66 9.697 6.682 -4.801 1.00 0.00 C ATOM 709 CZ PHE A 66 9.466 5.508 -4.097 1.00 0.00 C ATOM 0 H PHE A 66 10.544 6.160 -8.272 1.00 0.00 H new ATOM 0 HA PHE A 66 13.172 5.316 -9.045 1.00 0.00 H new ATOM 0 HB2 PHE A 66 13.596 5.338 -6.594 1.00 0.00 H new ATOM 0 HB3 PHE A 66 12.883 6.828 -7.179 1.00 0.00 H new ATOM 0 HD1 PHE A 66 12.074 3.684 -5.269 1.00 0.00 H new ATOM 0 HD2 PHE A 66 10.912 7.695 -6.245 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.135 3.494 -3.745 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.047 7.531 -4.649 1.00 0.00 H new ATOM 0 HZ PHE A 66 8.634 5.441 -3.412 1.00 0.00 H new ATOM 719 N ASP A 67 11.231 2.822 -8.077 1.00 0.00 N ATOM 720 CA ASP A 67 11.287 1.336 -8.030 1.00 0.00 C ATOM 721 C ASP A 67 9.939 0.708 -8.456 1.00 0.00 C ATOM 722 O ASP A 67 8.844 1.229 -8.231 1.00 0.00 O ATOM 723 CB ASP A 67 11.818 0.787 -6.674 1.00 0.00 C ATOM 724 CG ASP A 67 12.241 -0.691 -6.678 1.00 0.00 C ATOM 725 OD1 ASP A 67 11.454 -1.627 -6.594 1.00 0.00 O ATOM 726 OD2 ASP A 67 13.578 -0.858 -6.865 1.00 0.00 O ATOM 0 H ASP A 67 10.301 3.228 -7.969 1.00 0.00 H new ATOM 0 HA ASP A 67 12.028 1.023 -8.766 1.00 0.00 H new ATOM 0 HB2 ASP A 67 12.672 1.390 -6.367 1.00 0.00 H new ATOM 0 HB3 ASP A 67 11.044 0.923 -5.919 1.00 0.00 H new ATOM 732 N SER A 68 10.077 -0.464 -9.067 1.00 0.00 N ATOM 733 CA SER A 68 8.920 -1.241 -9.563 1.00 0.00 C ATOM 734 C SER A 68 9.187 -2.757 -9.427 1.00 0.00 C ATOM 735 O SER A 68 9.784 -3.386 -10.307 1.00 0.00 O ATOM 736 CB SER A 68 8.576 -0.859 -11.018 1.00 0.00 C ATOM 737 OG SER A 68 8.370 0.535 -11.161 1.00 0.00 O ATOM 0 H SER A 68 10.979 -0.908 -9.237 1.00 0.00 H new ATOM 0 HA SER A 68 8.054 -0.995 -8.948 1.00 0.00 H new ATOM 0 HB2 SER A 68 9.383 -1.177 -11.678 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.679 -1.393 -11.332 1.00 0.00 H new ATOM 0 HG SER A 68 9.221 1.006 -11.040 1.00 0.00 H new ATOM 743 N SER A 69 8.726 -3.358 -8.322 1.00 0.00 N ATOM 744 CA SER A 69 8.845 -4.827 -8.090 1.00 0.00 C ATOM 745 C SER A 69 8.176 -5.704 -9.221 1.00 0.00 C ATOM 746 O SER A 69 8.762 -6.698 -9.653 1.00 0.00 O ATOM 747 CB SER A 69 8.335 -5.081 -6.654 1.00 0.00 C ATOM 748 OG SER A 69 8.882 -6.276 -6.100 1.00 0.00 O ATOM 0 H SER A 69 8.263 -2.857 -7.564 1.00 0.00 H new ATOM 0 HA SER A 69 9.881 -5.157 -8.162 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.597 -4.234 -6.020 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.247 -5.149 -6.662 1.00 0.00 H new ATOM 0 HG SER A 69 9.074 -6.912 -6.820 1.00 0.00 H new ATOM 754 N LEU A 70 7.002 -5.293 -9.753 1.00 0.00 N ATOM 755 CA LEU A 70 6.319 -5.945 -10.910 1.00 0.00 C ATOM 756 C LEU A 70 7.194 -6.031 -12.223 1.00 0.00 C ATOM 757 O LEU A 70 7.222 -7.065 -12.892 1.00 0.00 O ATOM 758 CB LEU A 70 4.964 -5.192 -11.158 1.00 0.00 C ATOM 759 CG LEU A 70 3.742 -5.489 -10.243 1.00 0.00 C ATOM 760 CD1 LEU A 70 3.294 -6.934 -10.368 1.00 0.00 C ATOM 761 CD2 LEU A 70 3.892 -5.040 -8.786 1.00 0.00 C ATOM 0 H LEU A 70 6.490 -4.489 -9.391 1.00 0.00 H new ATOM 0 HA LEU A 70 6.140 -6.988 -10.651 1.00 0.00 H new ATOM 0 HB2 LEU A 70 5.168 -4.123 -11.093 1.00 0.00 H new ATOM 0 HB3 LEU A 70 4.660 -5.397 -12.185 1.00 0.00 H new ATOM 0 HG LEU A 70 2.943 -4.853 -10.624 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.438 -7.107 -9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.010 -7.139 -11.400 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.111 -7.595 -10.078 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.988 -5.292 -8.233 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.746 -5.546 -8.336 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.049 -3.962 -8.752 1.00 0.00 H new ATOM 773 N ASP A 71 7.892 -4.938 -12.577 1.00 0.00 N ATOM 774 CA ASP A 71 8.842 -4.877 -13.732 1.00 0.00 C ATOM 775 C ASP A 71 10.205 -5.623 -13.487 1.00 0.00 C ATOM 776 O ASP A 71 10.715 -6.285 -14.391 1.00 0.00 O ATOM 777 CB ASP A 71 9.106 -3.387 -14.072 1.00 0.00 C ATOM 778 CG ASP A 71 7.923 -2.631 -14.664 1.00 0.00 C ATOM 779 OD1 ASP A 71 7.218 -1.859 -14.026 1.00 0.00 O ATOM 780 OD2 ASP A 71 7.733 -2.915 -15.979 1.00 0.00 O ATOM 0 H ASP A 71 7.821 -4.055 -12.071 1.00 0.00 H new ATOM 0 HA ASP A 71 8.370 -5.400 -14.564 1.00 0.00 H new ATOM 0 HB2 ASP A 71 9.424 -2.876 -13.163 1.00 0.00 H new ATOM 0 HB3 ASP A 71 9.937 -3.334 -14.775 1.00 0.00 H new ATOM 786 N ARG A 72 10.807 -5.485 -12.289 1.00 0.00 N ATOM 787 CA ARG A 72 12.056 -6.189 -11.880 1.00 0.00 C ATOM 788 C ARG A 72 11.994 -7.768 -11.844 1.00 0.00 C ATOM 789 O ARG A 72 13.039 -8.419 -11.838 1.00 0.00 O ATOM 790 CB ARG A 72 12.454 -5.632 -10.481 1.00 0.00 C ATOM 791 CG ARG A 72 12.984 -4.172 -10.439 1.00 0.00 C ATOM 792 CD ARG A 72 12.965 -3.509 -9.045 1.00 0.00 C ATOM 793 NE ARG A 72 13.943 -4.118 -8.101 1.00 0.00 N ATOM 794 CZ ARG A 72 13.655 -4.945 -7.101 1.00 0.00 C ATOM 795 NH1 ARG A 72 12.455 -5.306 -6.762 1.00 0.00 N ATOM 796 NH2 ARG A 72 14.640 -5.432 -6.435 1.00 0.00 N ATOM 0 H ARG A 72 10.439 -4.873 -11.561 1.00 0.00 H new ATOM 0 HA ARG A 72 12.798 -5.987 -12.652 1.00 0.00 H new ATOM 0 HB2 ARG A 72 11.584 -5.698 -9.828 1.00 0.00 H new ATOM 0 HB3 ARG A 72 13.219 -6.284 -10.059 1.00 0.00 H new ATOM 0 HG2 ARG A 72 14.007 -4.162 -10.815 1.00 0.00 H new ATOM 0 HG3 ARG A 72 12.388 -3.566 -11.121 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.183 -2.446 -9.151 1.00 0.00 H new ATOM 0 HD3 ARG A 72 11.963 -3.589 -8.624 1.00 0.00 H new ATOM 0 HE ARG A 72 14.925 -3.878 -8.234 1.00 0.00 H new ATOM 0 HH11 ARG A 72 11.650 -4.949 -7.278 1.00 0.00 H new ATOM 0 HH12 ARG A 72 12.317 -5.946 -5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 72 15.597 -5.180 -6.682 1.00 0.00 H new ATOM 0 HH22 ARG A 72 14.465 -6.071 -5.659 1.00 0.00 H new ATOM 809 N LYS A 73 10.782 -8.353 -11.781 1.00 0.00 N ATOM 810 CA LYS A 73 10.487 -9.816 -11.751 1.00 0.00 C ATOM 811 C LYS A 73 10.270 -10.369 -10.310 1.00 0.00 C ATOM 812 O LYS A 73 9.335 -11.140 -10.072 1.00 0.00 O ATOM 813 CB LYS A 73 11.344 -10.758 -12.655 1.00 0.00 C ATOM 814 CG LYS A 73 11.446 -10.405 -14.161 1.00 0.00 C ATOM 815 CD LYS A 73 10.099 -10.384 -14.912 1.00 0.00 C ATOM 816 CE LYS A 73 10.283 -10.091 -16.407 1.00 0.00 C ATOM 817 NZ LYS A 73 8.962 -10.011 -17.058 1.00 0.00 N ATOM 0 H LYS A 73 9.929 -7.795 -11.747 1.00 0.00 H new ATOM 0 HA LYS A 73 9.527 -9.851 -12.266 1.00 0.00 H new ATOM 0 HB2 LYS A 73 12.354 -10.788 -12.247 1.00 0.00 H new ATOM 0 HB3 LYS A 73 10.937 -11.766 -12.572 1.00 0.00 H new ATOM 0 HG2 LYS A 73 11.916 -9.427 -14.260 1.00 0.00 H new ATOM 0 HG3 LYS A 73 12.105 -11.126 -14.645 1.00 0.00 H new ATOM 0 HD2 LYS A 73 9.600 -11.345 -14.789 1.00 0.00 H new ATOM 0 HD3 LYS A 73 9.449 -9.628 -14.471 1.00 0.00 H new ATOM 0 HE2 LYS A 73 10.824 -9.154 -16.541 1.00 0.00 H new ATOM 0 HE3 LYS A 73 10.882 -10.874 -16.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.086 -9.812 -18.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 8.462 -10.915 -16.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.405 -9.249 -16.621 1.00 0.00 H new ATOM 830 N ASP A 74 11.121 -9.984 -9.349 1.00 0.00 N ATOM 831 CA ASP A 74 10.987 -10.373 -7.938 1.00 0.00 C ATOM 832 C ASP A 74 9.919 -9.553 -7.164 1.00 0.00 C ATOM 833 O ASP A 74 9.624 -8.389 -7.453 1.00 0.00 O ATOM 834 CB ASP A 74 12.370 -10.246 -7.270 1.00 0.00 C ATOM 835 CG ASP A 74 13.055 -8.876 -7.139 1.00 0.00 C ATOM 836 OD1 ASP A 74 13.242 -8.315 -6.065 1.00 0.00 O ATOM 837 OD2 ASP A 74 13.436 -8.354 -8.335 1.00 0.00 O ATOM 0 H ASP A 74 11.929 -9.389 -9.531 1.00 0.00 H new ATOM 0 HA ASP A 74 10.633 -11.403 -7.905 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.280 -10.657 -6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 74 13.052 -10.895 -7.819 1.00 0.00 H new ATOM 843 N LYS A 75 9.369 -10.199 -6.138 1.00 0.00 N ATOM 844 CA LYS A 75 8.375 -9.594 -5.246 1.00 0.00 C ATOM 845 C LYS A 75 9.033 -8.814 -4.056 1.00 0.00 C ATOM 846 O LYS A 75 10.249 -8.884 -3.836 1.00 0.00 O ATOM 847 CB LYS A 75 7.426 -10.692 -4.704 1.00 0.00 C ATOM 848 CG LYS A 75 6.739 -11.675 -5.683 1.00 0.00 C ATOM 849 CD LYS A 75 5.722 -12.581 -4.963 1.00 0.00 C ATOM 850 CE LYS A 75 4.898 -13.423 -5.947 1.00 0.00 C ATOM 851 NZ LYS A 75 3.885 -14.196 -5.201 1.00 0.00 N ATOM 0 H LYS A 75 9.600 -11.163 -5.898 1.00 0.00 H new ATOM 0 HA LYS A 75 7.810 -8.867 -5.829 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.995 -11.289 -3.991 1.00 0.00 H new ATOM 0 HB3 LYS A 75 6.638 -10.191 -4.142 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.233 -11.113 -6.468 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.495 -12.292 -6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.250 -13.242 -4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.051 -11.966 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.413 -12.777 -6.678 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.551 -14.097 -6.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.303 -14.741 -5.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.360 -14.847 -4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.277 -13.545 -4.664 1.00 0.00 H new ATOM 864 N PHE A 76 8.223 -8.074 -3.278 1.00 0.00 N ATOM 865 CA PHE A 76 8.716 -7.398 -2.058 1.00 0.00 C ATOM 866 C PHE A 76 8.210 -8.185 -0.787 1.00 0.00 C ATOM 867 O PHE A 76 7.237 -8.950 -0.831 1.00 0.00 O ATOM 868 CB PHE A 76 8.437 -5.851 -2.153 1.00 0.00 C ATOM 869 CG PHE A 76 9.465 -5.125 -1.255 1.00 0.00 C ATOM 870 CD1 PHE A 76 10.796 -4.966 -1.666 1.00 0.00 C ATOM 871 CD2 PHE A 76 9.107 -4.755 0.047 1.00 0.00 C ATOM 872 CE1 PHE A 76 11.736 -4.412 -0.797 1.00 0.00 C ATOM 873 CE2 PHE A 76 10.054 -4.226 0.921 1.00 0.00 C ATOM 874 CZ PHE A 76 11.365 -4.046 0.494 1.00 0.00 C ATOM 0 H PHE A 76 7.232 -7.928 -3.468 1.00 0.00 H new ATOM 0 HA PHE A 76 9.800 -7.433 -1.954 1.00 0.00 H new ATOM 0 HB2 PHE A 76 8.524 -5.511 -3.185 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.421 -5.626 -1.828 1.00 0.00 H new ATOM 0 HD1 PHE A 76 11.094 -5.273 -2.658 1.00 0.00 H new ATOM 0 HD2 PHE A 76 8.086 -4.881 0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 76 12.754 -4.267 -1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 76 9.771 -3.956 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 76 12.097 -3.621 1.165 1.00 0.00 H new ATOM 884 N SER A 77 8.879 -8.040 0.366 1.00 0.00 N ATOM 885 CA SER A 77 8.472 -8.724 1.622 1.00 0.00 C ATOM 886 C SER A 77 9.040 -7.978 2.846 1.00 0.00 C ATOM 887 O SER A 77 10.124 -7.381 2.824 1.00 0.00 O ATOM 888 CB SER A 77 8.821 -10.225 1.651 1.00 0.00 C ATOM 889 OG SER A 77 10.224 -10.479 1.723 1.00 0.00 O ATOM 0 H SER A 77 9.709 -7.455 0.464 1.00 0.00 H new ATOM 0 HA SER A 77 7.383 -8.686 1.662 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.331 -10.688 2.507 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.418 -10.702 0.757 1.00 0.00 H new ATOM 0 HG SER A 77 10.381 -11.446 1.740 1.00 0.00 H new ATOM 895 N PHE A 78 8.251 -7.998 3.915 1.00 0.00 N ATOM 896 CA PHE A 78 8.628 -7.307 5.180 1.00 0.00 C ATOM 897 C PHE A 78 7.949 -7.911 6.461 1.00 0.00 C ATOM 898 O PHE A 78 7.291 -8.953 6.417 1.00 0.00 O ATOM 899 CB PHE A 78 8.382 -5.784 5.000 1.00 0.00 C ATOM 900 CG PHE A 78 6.952 -5.226 5.054 1.00 0.00 C ATOM 901 CD1 PHE A 78 6.140 -5.087 3.924 1.00 0.00 C ATOM 902 CD2 PHE A 78 6.563 -4.637 6.255 1.00 0.00 C ATOM 903 CE1 PHE A 78 4.935 -4.379 4.017 1.00 0.00 C ATOM 904 CE2 PHE A 78 5.374 -3.942 6.347 1.00 0.00 C ATOM 905 CZ PHE A 78 4.555 -3.819 5.245 1.00 0.00 C ATOM 0 H PHE A 78 7.351 -8.476 3.949 1.00 0.00 H new ATOM 0 HA PHE A 78 9.689 -7.473 5.368 1.00 0.00 H new ATOM 0 HB2 PHE A 78 8.960 -5.269 5.767 1.00 0.00 H new ATOM 0 HB3 PHE A 78 8.805 -5.499 4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.441 -5.524 2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 78 7.199 -4.725 7.124 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.303 -4.265 3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 78 5.084 -3.493 7.286 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.617 -3.289 5.328 1.00 0.00 H new ATOM 915 N ASP A 79 8.126 -7.264 7.627 1.00 0.00 N ATOM 916 CA ASP A 79 7.423 -7.633 8.878 1.00 0.00 C ATOM 917 C ASP A 79 6.674 -6.330 9.321 1.00 0.00 C ATOM 918 O ASP A 79 7.305 -5.273 9.457 1.00 0.00 O ATOM 919 CB ASP A 79 8.498 -8.182 9.834 1.00 0.00 C ATOM 920 CG ASP A 79 7.910 -9.119 10.879 1.00 0.00 C ATOM 921 OD1 ASP A 79 8.001 -10.339 10.826 1.00 0.00 O ATOM 922 OD2 ASP A 79 7.226 -8.452 11.841 1.00 0.00 O ATOM 0 H ASP A 79 8.759 -6.471 7.733 1.00 0.00 H new ATOM 0 HA ASP A 79 6.670 -8.418 8.814 1.00 0.00 H new ATOM 0 HB2 ASP A 79 9.257 -8.712 9.259 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.998 -7.351 10.333 1.00 0.00 H new ATOM 928 N LEU A 80 5.338 -6.379 9.492 1.00 0.00 N ATOM 929 CA LEU A 80 4.489 -5.177 9.745 1.00 0.00 C ATOM 930 C LEU A 80 4.990 -4.209 10.879 1.00 0.00 C ATOM 931 O LEU A 80 5.036 -4.570 12.055 1.00 0.00 O ATOM 932 CB LEU A 80 3.030 -5.663 9.937 1.00 0.00 C ATOM 933 CG LEU A 80 1.904 -4.606 9.783 1.00 0.00 C ATOM 934 CD1 LEU A 80 1.915 -3.908 8.428 1.00 0.00 C ATOM 935 CD2 LEU A 80 0.537 -5.281 9.919 1.00 0.00 C ATOM 0 H LEU A 80 4.808 -7.250 9.460 1.00 0.00 H new ATOM 0 HA LEU A 80 4.559 -4.527 8.873 1.00 0.00 H new ATOM 0 HB2 LEU A 80 2.843 -6.462 9.220 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.948 -6.101 10.932 1.00 0.00 H new ATOM 0 HG LEU A 80 2.083 -3.866 10.564 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.103 -3.182 8.386 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.867 -3.396 8.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.783 -4.646 7.637 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.250 -4.535 9.810 1.00 0.00 H new ATOM 0 HD22 LEU A 80 0.427 -6.040 9.144 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.459 -5.750 10.900 1.00 0.00 H new ATOM 947 N GLY A 81 5.416 -2.996 10.479 1.00 0.00 N ATOM 948 CA GLY A 81 5.947 -1.954 11.414 1.00 0.00 C ATOM 949 C GLY A 81 7.242 -2.262 12.179 1.00 0.00 C ATOM 950 O GLY A 81 7.299 -1.991 13.379 1.00 0.00 O ATOM 0 H GLY A 81 5.407 -2.699 9.503 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.108 -1.042 10.840 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.170 -1.737 12.147 1.00 0.00 H new ATOM 954 N LYS A 82 8.290 -2.754 11.499 1.00 0.00 N ATOM 955 CA LYS A 82 9.572 -3.099 12.195 1.00 0.00 C ATOM 956 C LYS A 82 10.779 -2.133 11.946 1.00 0.00 C ATOM 957 O LYS A 82 11.920 -2.479 12.262 1.00 0.00 O ATOM 958 CB LYS A 82 9.864 -4.566 11.762 1.00 0.00 C ATOM 959 CG LYS A 82 9.021 -5.609 12.553 1.00 0.00 C ATOM 960 CD LYS A 82 9.826 -6.783 13.150 1.00 0.00 C ATOM 961 CE LYS A 82 10.689 -6.380 14.358 1.00 0.00 C ATOM 962 NZ LYS A 82 11.393 -7.569 14.878 1.00 0.00 N ATOM 0 H LYS A 82 8.293 -2.924 10.493 1.00 0.00 H new ATOM 0 HA LYS A 82 9.449 -2.985 13.272 1.00 0.00 H new ATOM 0 HB2 LYS A 82 9.659 -4.673 10.697 1.00 0.00 H new ATOM 0 HB3 LYS A 82 10.923 -4.778 11.906 1.00 0.00 H new ATOM 0 HG2 LYS A 82 8.502 -5.095 13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 82 8.256 -6.013 11.890 1.00 0.00 H new ATOM 0 HD2 LYS A 82 9.136 -7.570 13.453 1.00 0.00 H new ATOM 0 HD3 LYS A 82 10.470 -7.203 12.377 1.00 0.00 H new ATOM 0 HE2 LYS A 82 11.410 -5.617 14.065 1.00 0.00 H new ATOM 0 HE3 LYS A 82 10.063 -5.945 15.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 11.977 -7.297 15.695 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 10.697 -8.284 15.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 12.002 -7.965 14.134 1.00 0.00 H new ATOM 975 N GLY A 83 10.554 -0.929 11.388 1.00 0.00 N ATOM 976 CA GLY A 83 11.692 -0.028 10.971 1.00 0.00 C ATOM 977 C GLY A 83 12.040 -0.212 9.464 1.00 0.00 C ATOM 978 O GLY A 83 12.278 0.736 8.722 1.00 0.00 O ATOM 0 H GLY A 83 9.625 -0.547 11.210 1.00 0.00 H new ATOM 0 HA2 GLY A 83 11.423 1.011 11.160 1.00 0.00 H new ATOM 0 HA3 GLY A 83 12.571 -0.245 11.578 1.00 0.00 H new ATOM 982 N GLU A 84 12.049 -1.495 9.087 1.00 0.00 N ATOM 983 CA GLU A 84 12.126 -2.072 7.731 1.00 0.00 C ATOM 984 C GLU A 84 11.546 -1.252 6.527 1.00 0.00 C ATOM 985 O GLU A 84 12.201 -1.117 5.491 1.00 0.00 O ATOM 986 CB GLU A 84 11.305 -3.395 7.990 1.00 0.00 C ATOM 987 CG GLU A 84 11.377 -4.470 6.875 1.00 0.00 C ATOM 988 CD GLU A 84 12.745 -5.114 6.662 1.00 0.00 C ATOM 989 OE1 GLU A 84 13.139 -6.093 7.285 1.00 0.00 O ATOM 990 OE2 GLU A 84 13.471 -4.484 5.702 1.00 0.00 O ATOM 0 H GLU A 84 11.998 -2.232 9.790 1.00 0.00 H new ATOM 0 HA GLU A 84 13.157 -2.155 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.657 -3.841 8.920 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.259 -3.126 8.141 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.658 -5.256 7.107 1.00 0.00 H new ATOM 0 HG3 GLU A 84 11.060 -4.015 5.936 1.00 0.00 H new ATOM 998 N VAL A 85 10.309 -0.746 6.668 1.00 0.00 N ATOM 999 CA VAL A 85 9.582 -0.032 5.616 1.00 0.00 C ATOM 1000 C VAL A 85 9.299 1.434 6.071 1.00 0.00 C ATOM 1001 O VAL A 85 10.069 2.103 6.764 1.00 0.00 O ATOM 1002 CB VAL A 85 8.348 -0.960 5.229 1.00 0.00 C ATOM 1003 CG1 VAL A 85 8.762 -2.421 4.913 1.00 0.00 C ATOM 1004 CG2 VAL A 85 7.099 -1.041 6.140 1.00 0.00 C ATOM 0 H VAL A 85 9.780 -0.826 7.536 1.00 0.00 H new ATOM 0 HA VAL A 85 10.137 0.126 4.691 1.00 0.00 H new ATOM 0 HB VAL A 85 8.022 -0.390 4.359 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.877 -3.003 4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 85 9.457 -2.429 4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.244 -2.860 5.787 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.373 -1.726 5.702 1.00 0.00 H new ATOM 0 HG22 VAL A 85 7.391 -1.403 7.126 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.653 -0.051 6.235 1.00 0.00 H new ATOM 1014 N ILE A 86 8.172 1.932 5.595 1.00 0.00 N ATOM 1015 CA ILE A 86 7.601 3.235 5.972 1.00 0.00 C ATOM 1016 C ILE A 86 6.300 3.033 6.800 1.00 0.00 C ATOM 1017 O ILE A 86 5.595 2.017 6.748 1.00 0.00 O ATOM 1018 CB ILE A 86 7.379 4.185 4.743 1.00 0.00 C ATOM 1019 CG1 ILE A 86 6.400 3.637 3.663 1.00 0.00 C ATOM 1020 CG2 ILE A 86 8.739 4.678 4.221 1.00 0.00 C ATOM 1021 CD1 ILE A 86 6.289 4.429 2.352 1.00 0.00 C ATOM 0 H ILE A 86 7.602 1.433 4.912 1.00 0.00 H new ATOM 0 HA ILE A 86 8.332 3.743 6.601 1.00 0.00 H new ATOM 0 HB ILE A 86 6.832 5.063 5.087 1.00 0.00 H new ATOM 0 HG12 ILE A 86 6.702 2.619 3.418 1.00 0.00 H new ATOM 0 HG13 ILE A 86 5.406 3.577 4.107 1.00 0.00 H new ATOM 0 HG21 ILE A 86 8.584 5.338 3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 86 9.256 5.222 5.011 1.00 0.00 H new ATOM 0 HG23 ILE A 86 9.342 3.824 3.914 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.575 3.939 1.690 1.00 0.00 H new ATOM 0 HD12 ILE A 86 5.949 5.442 2.567 1.00 0.00 H new ATOM 0 HD13 ILE A 86 7.265 4.469 1.867 1.00 0.00 H new ATOM 1033 N LYS A 87 5.942 4.096 7.513 1.00 0.00 N ATOM 1034 CA LYS A 87 4.678 4.132 8.305 1.00 0.00 C ATOM 1035 C LYS A 87 3.398 4.136 7.418 1.00 0.00 C ATOM 1036 O LYS A 87 2.388 3.544 7.797 1.00 0.00 O ATOM 1037 CB LYS A 87 4.616 5.258 9.375 1.00 0.00 C ATOM 1038 CG LYS A 87 5.805 5.502 10.337 1.00 0.00 C ATOM 1039 CD LYS A 87 7.007 6.246 9.702 1.00 0.00 C ATOM 1040 CE LYS A 87 7.947 6.926 10.711 1.00 0.00 C ATOM 1041 NZ LYS A 87 7.379 8.207 11.177 1.00 0.00 N ATOM 0 H LYS A 87 6.495 4.951 7.571 1.00 0.00 H new ATOM 0 HA LYS A 87 4.698 3.192 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.435 6.193 8.846 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.738 5.066 9.992 1.00 0.00 H new ATOM 0 HG2 LYS A 87 5.451 6.076 11.193 1.00 0.00 H new ATOM 0 HG3 LYS A 87 6.150 4.541 10.718 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.584 5.536 9.109 1.00 0.00 H new ATOM 0 HD3 LYS A 87 6.627 7.001 9.014 1.00 0.00 H new ATOM 0 HE2 LYS A 87 8.113 6.266 11.562 1.00 0.00 H new ATOM 0 HE3 LYS A 87 8.919 7.101 10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 8.102 8.735 11.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 7.071 8.769 10.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 6.564 8.021 11.796 1.00 0.00 H new ATOM 1054 N ALA A 88 3.454 4.753 6.222 1.00 0.00 N ATOM 1055 CA ALA A 88 2.402 4.631 5.204 1.00 0.00 C ATOM 1056 C ALA A 88 2.151 3.158 4.785 1.00 0.00 C ATOM 1057 O ALA A 88 0.985 2.837 4.534 1.00 0.00 O ATOM 1058 CB ALA A 88 2.816 5.485 3.999 1.00 0.00 C ATOM 0 H ALA A 88 4.231 5.349 5.938 1.00 0.00 H new ATOM 0 HA ALA A 88 1.458 4.985 5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 88 2.053 5.415 3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 88 2.923 6.524 4.309 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.766 5.124 3.606 1.00 0.00 H new ATOM 1064 N TRP A 89 3.179 2.260 4.722 1.00 0.00 N ATOM 1065 CA TRP A 89 2.864 0.840 4.480 1.00 0.00 C ATOM 1066 C TRP A 89 2.284 0.143 5.732 1.00 0.00 C ATOM 1067 O TRP A 89 1.349 -0.634 5.581 1.00 0.00 O ATOM 1068 CB TRP A 89 4.066 0.064 3.980 1.00 0.00 C ATOM 1069 CG TRP A 89 4.670 0.402 2.630 1.00 0.00 C ATOM 1070 CD1 TRP A 89 4.316 1.420 1.745 1.00 0.00 C ATOM 1071 CD2 TRP A 89 5.556 -0.374 1.963 1.00 0.00 C ATOM 1072 NE1 TRP A 89 4.914 1.249 0.482 1.00 0.00 N ATOM 1073 CE2 TRP A 89 5.687 0.117 0.647 1.00 0.00 C ATOM 1074 CE3 TRP A 89 6.299 -1.477 2.408 1.00 0.00 C ATOM 1075 CZ2 TRP A 89 6.549 -0.533 -0.261 1.00 0.00 C ATOM 1076 CZ3 TRP A 89 7.176 -2.083 1.519 1.00 0.00 C ATOM 1077 CH2 TRP A 89 7.308 -1.613 0.208 1.00 0.00 C ATOM 0 H TRP A 89 4.168 2.484 4.829 1.00 0.00 H new ATOM 0 HA TRP A 89 2.101 0.840 3.702 1.00 0.00 H new ATOM 0 HB2 TRP A 89 4.855 0.169 4.725 1.00 0.00 H new ATOM 0 HB3 TRP A 89 3.787 -0.990 3.958 1.00 0.00 H new ATOM 0 HD1 TRP A 89 3.662 2.241 1.998 1.00 0.00 H new ATOM 0 HE1 TRP A 89 4.803 1.823 -0.354 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.191 -1.846 3.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 6.622 -0.207 -1.288 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 7.764 -2.929 1.844 1.00 0.00 H new ATOM 0 HH2 TRP A 89 8.010 -2.093 -0.457 1.00 0.00 H new ATOM 1088 N ASP A 90 2.826 0.376 6.942 1.00 0.00 N ATOM 1089 CA ASP A 90 2.207 -0.177 8.178 1.00 0.00 C ATOM 1090 C ASP A 90 0.708 0.233 8.403 1.00 0.00 C ATOM 1091 O ASP A 90 -0.071 -0.609 8.848 1.00 0.00 O ATOM 1092 CB ASP A 90 3.155 0.166 9.354 1.00 0.00 C ATOM 1093 CG ASP A 90 2.701 -0.338 10.719 1.00 0.00 C ATOM 1094 OD1 ASP A 90 2.674 -1.517 11.033 1.00 0.00 O ATOM 1095 OD2 ASP A 90 2.317 0.669 11.546 1.00 0.00 O ATOM 0 H ASP A 90 3.670 0.928 7.097 1.00 0.00 H new ATOM 0 HA ASP A 90 2.114 -1.259 8.086 1.00 0.00 H new ATOM 0 HB2 ASP A 90 4.140 -0.250 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 90 3.270 1.249 9.404 1.00 0.00 H new ATOM 1101 N ILE A 91 0.297 1.471 8.081 1.00 0.00 N ATOM 1102 CA ILE A 91 -1.132 1.885 8.155 1.00 0.00 C ATOM 1103 C ILE A 91 -1.998 1.144 7.063 1.00 0.00 C ATOM 1104 O ILE A 91 -2.990 0.474 7.383 1.00 0.00 O ATOM 1105 CB ILE A 91 -1.266 3.458 8.231 1.00 0.00 C ATOM 1106 CG1 ILE A 91 -1.107 4.003 9.687 1.00 0.00 C ATOM 1107 CG2 ILE A 91 -2.641 3.960 7.719 1.00 0.00 C ATOM 1108 CD1 ILE A 91 0.325 4.027 10.246 1.00 0.00 C ATOM 0 H ILE A 91 0.927 2.209 7.766 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.573 1.549 9.094 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.462 3.829 7.595 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.505 5.017 9.719 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -1.724 3.397 10.350 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -2.682 5.047 7.792 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -2.773 3.661 6.679 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.436 3.525 8.325 1.00 0.00 H new ATOM 0 HD11 ILE A 91 0.313 4.424 11.261 1.00 0.00 H new ATOM 0 HD12 ILE A 91 0.728 3.014 10.257 1.00 0.00 H new ATOM 0 HD13 ILE A 91 0.951 4.660 9.617 1.00 0.00 H new ATOM 1120 N ALA A 92 -1.626 1.276 5.778 1.00 0.00 N ATOM 1121 CA ALA A 92 -2.332 0.603 4.665 1.00 0.00 C ATOM 1122 C ALA A 92 -2.319 -0.961 4.682 1.00 0.00 C ATOM 1123 O ALA A 92 -3.346 -1.565 4.370 1.00 0.00 O ATOM 1124 CB ALA A 92 -1.767 1.215 3.383 1.00 0.00 C ATOM 0 H ALA A 92 -0.835 1.846 5.479 1.00 0.00 H new ATOM 0 HA ALA A 92 -3.403 0.784 4.760 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -2.249 0.759 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.955 2.289 3.379 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.693 1.035 3.336 1.00 0.00 H new ATOM 1130 N VAL A 93 -1.198 -1.613 5.050 1.00 0.00 N ATOM 1131 CA VAL A 93 -1.154 -3.102 5.226 1.00 0.00 C ATOM 1132 C VAL A 93 -2.018 -3.569 6.454 1.00 0.00 C ATOM 1133 O VAL A 93 -2.782 -4.529 6.325 1.00 0.00 O ATOM 1134 CB VAL A 93 0.308 -3.662 5.206 1.00 0.00 C ATOM 1135 CG1 VAL A 93 0.368 -5.160 5.562 1.00 0.00 C ATOM 1136 CG2 VAL A 93 1.012 -3.544 3.838 1.00 0.00 C ATOM 0 H VAL A 93 -0.309 -1.147 5.233 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.629 -3.554 4.355 1.00 0.00 H new ATOM 0 HB VAL A 93 0.813 -3.042 5.947 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.403 -5.499 5.534 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -0.037 -5.313 6.562 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.220 -5.729 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.019 -3.954 3.911 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.447 -4.099 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.068 -2.495 3.547 1.00 0.00 H new ATOM 1146 N ALA A 94 -1.914 -2.918 7.630 1.00 0.00 N ATOM 1147 CA ALA A 94 -2.782 -3.228 8.796 1.00 0.00 C ATOM 1148 C ALA A 94 -4.339 -3.133 8.524 1.00 0.00 C ATOM 1149 O ALA A 94 -5.120 -3.869 9.133 1.00 0.00 O ATOM 1150 CB ALA A 94 -2.369 -2.320 9.967 1.00 0.00 C ATOM 0 H ALA A 94 -1.239 -2.173 7.803 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.622 -4.279 9.035 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -2.996 -2.534 10.832 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -1.325 -2.506 10.221 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -2.492 -1.276 9.679 1.00 0.00 H new ATOM 1156 N THR A 95 -4.767 -2.235 7.613 1.00 0.00 N ATOM 1157 CA THR A 95 -6.196 -2.077 7.190 1.00 0.00 C ATOM 1158 C THR A 95 -6.663 -2.911 5.924 1.00 0.00 C ATOM 1159 O THR A 95 -7.827 -2.773 5.536 1.00 0.00 O ATOM 1160 CB THR A 95 -6.506 -0.547 7.030 1.00 0.00 C ATOM 1161 OG1 THR A 95 -5.555 0.118 6.201 1.00 0.00 O ATOM 1162 CG2 THR A 95 -6.550 0.240 8.350 1.00 0.00 C ATOM 0 H THR A 95 -4.135 -1.589 7.140 1.00 0.00 H new ATOM 0 HA THR A 95 -6.792 -2.521 7.988 1.00 0.00 H new ATOM 0 HB THR A 95 -7.499 -0.551 6.580 1.00 0.00 H new ATOM 0 HG1 THR A 95 -4.719 0.244 6.698 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.770 1.287 8.142 1.00 0.00 H new ATOM 0 HG22 THR A 95 -7.326 -0.173 8.994 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.585 0.165 8.851 1.00 0.00 H new ATOM 1170 N MET A 96 -5.848 -3.795 5.298 1.00 0.00 N ATOM 1171 CA MET A 96 -6.251 -4.596 4.091 1.00 0.00 C ATOM 1172 C MET A 96 -6.259 -6.143 4.380 1.00 0.00 C ATOM 1173 O MET A 96 -5.215 -6.750 4.628 1.00 0.00 O ATOM 1174 CB MET A 96 -5.348 -4.169 2.898 1.00 0.00 C ATOM 1175 CG MET A 96 -3.886 -4.666 2.920 1.00 0.00 C ATOM 1176 SD MET A 96 -2.818 -3.530 2.035 1.00 0.00 S ATOM 1177 CE MET A 96 -1.564 -4.695 1.511 1.00 0.00 C ATOM 0 H MET A 96 -4.893 -3.980 5.606 1.00 0.00 H new ATOM 0 HA MET A 96 -7.285 -4.380 3.822 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.813 -4.521 1.977 1.00 0.00 H new ATOM 0 HB3 MET A 96 -5.336 -3.080 2.853 1.00 0.00 H new ATOM 0 HG2 MET A 96 -3.546 -4.765 3.951 1.00 0.00 H new ATOM 0 HG3 MET A 96 -3.826 -5.656 2.468 1.00 0.00 H new ATOM 0 HE1 MET A 96 -0.715 -4.153 1.094 1.00 0.00 H new ATOM 0 HE2 MET A 96 -1.234 -5.284 2.367 1.00 0.00 H new ATOM 0 HE3 MET A 96 -1.978 -5.359 0.752 1.00 0.00 H new ATOM 1187 N LYS A 97 -7.416 -6.817 4.239 1.00 0.00 N ATOM 1188 CA LYS A 97 -7.564 -8.272 4.590 1.00 0.00 C ATOM 1189 C LYS A 97 -6.957 -9.127 3.441 1.00 0.00 C ATOM 1190 O LYS A 97 -7.171 -8.740 2.264 1.00 0.00 O ATOM 1191 CB LYS A 97 -9.037 -8.558 4.991 1.00 0.00 C ATOM 1192 CG LYS A 97 -10.167 -8.108 4.028 1.00 0.00 C ATOM 1193 CD LYS A 97 -11.595 -8.253 4.603 1.00 0.00 C ATOM 1194 CE LYS A 97 -12.091 -9.682 4.875 1.00 0.00 C ATOM 1195 NZ LYS A 97 -12.161 -10.453 3.622 1.00 0.00 N ATOM 0 H LYS A 97 -8.272 -6.390 3.885 1.00 0.00 H new ATOM 0 HA LYS A 97 -6.995 -8.561 5.474 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.137 -9.633 5.140 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -9.216 -8.084 5.956 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -10.002 -7.065 3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -10.098 -8.691 3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -11.644 -7.693 5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -12.290 -7.778 3.910 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -11.421 -10.178 5.577 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -13.075 -9.648 5.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -13.098 -10.896 3.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -12.006 -9.817 2.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -11.429 -11.191 3.627 1.00 0.00 H new ATOM 1208 N VAL A 98 -6.374 -10.352 3.725 1.00 0.00 N ATOM 1209 CA VAL A 98 -5.353 -11.083 2.828 1.00 0.00 C ATOM 1210 C VAL A 98 -5.266 -10.342 1.441 1.00 0.00 C ATOM 1211 O VAL A 98 -5.909 -10.704 0.459 1.00 0.00 O ATOM 1212 CB VAL A 98 -5.777 -12.592 2.766 1.00 0.00 C ATOM 1213 CG1 VAL A 98 -5.039 -13.413 1.695 1.00 0.00 C ATOM 1214 CG2 VAL A 98 -5.470 -13.345 4.085 1.00 0.00 C ATOM 0 H VAL A 98 -6.590 -10.870 4.577 1.00 0.00 H new ATOM 0 HA VAL A 98 -4.337 -11.062 3.221 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.843 -12.527 2.547 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -5.392 -14.444 1.720 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -5.234 -12.986 0.711 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -3.968 -13.391 1.894 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.782 -14.385 3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.400 -13.304 4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -6.012 -12.876 4.906 1.00 0.00 H new ATOM 1224 N GLY A 99 -4.481 -9.234 1.552 1.00 0.00 N ATOM 1225 CA GLY A 99 -4.705 -7.919 0.818 1.00 0.00 C ATOM 1226 C GLY A 99 -5.521 -7.683 -0.453 1.00 0.00 C ATOM 1227 O GLY A 99 -6.046 -6.595 -0.685 1.00 0.00 O ATOM 0 H GLY A 99 -3.660 -9.211 2.157 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -5.134 -7.247 1.561 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -3.707 -7.546 0.589 1.00 0.00 H new ATOM 1231 N GLU A 100 -5.565 -8.715 -1.261 1.00 0.00 N ATOM 1232 CA GLU A 100 -5.948 -8.641 -2.709 1.00 0.00 C ATOM 1233 C GLU A 100 -5.093 -7.563 -3.480 1.00 0.00 C ATOM 1234 O GLU A 100 -3.858 -7.664 -3.352 1.00 0.00 O ATOM 1235 CB GLU A 100 -7.438 -8.977 -2.976 1.00 0.00 C ATOM 1236 CG GLU A 100 -7.819 -10.477 -3.187 1.00 0.00 C ATOM 1237 CD GLU A 100 -7.367 -11.510 -2.149 1.00 0.00 C ATOM 1238 OE1 GLU A 100 -8.108 -12.054 -1.335 1.00 0.00 O ATOM 1239 OE2 GLU A 100 -6.039 -11.783 -2.242 1.00 0.00 O ATOM 0 H GLU A 100 -5.337 -9.661 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 100 -5.619 -9.481 -3.321 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -8.022 -8.598 -2.138 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -7.753 -8.424 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -8.905 -10.534 -3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -7.420 -10.785 -4.154 1.00 0.00 H new ATOM 1247 N LEU A 101 -5.679 -6.568 -4.192 1.00 0.00 N ATOM 1248 CA LEU A 101 -4.907 -5.452 -4.867 1.00 0.00 C ATOM 1249 C LEU A 101 -5.398 -3.947 -4.777 1.00 0.00 C ATOM 1250 O LEU A 101 -6.602 -3.694 -4.946 1.00 0.00 O ATOM 1251 CB LEU A 101 -4.328 -5.818 -6.271 1.00 0.00 C ATOM 1252 CG LEU A 101 -2.778 -5.969 -6.286 1.00 0.00 C ATOM 1253 CD1 LEU A 101 -2.310 -6.799 -7.490 1.00 0.00 C ATOM 1254 CD2 LEU A 101 -1.962 -4.662 -6.226 1.00 0.00 C ATOM 0 H LEU A 101 -6.688 -6.501 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 101 -4.091 -5.413 -4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.779 -6.751 -6.609 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.617 -5.047 -6.986 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.572 -6.484 -5.348 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.224 -6.886 -7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.755 -7.793 -7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.619 -6.308 -8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.898 -4.896 -6.243 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.210 -4.039 -7.085 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -2.201 -4.126 -5.308 1.00 0.00 H new ATOM 1266 N CYS A 102 -4.502 -2.939 -4.462 1.00 0.00 N ATOM 1267 CA CYS A 102 -4.917 -1.502 -4.433 1.00 0.00 C ATOM 1268 C CYS A 102 -3.716 -0.467 -4.545 1.00 0.00 C ATOM 1269 O CYS A 102 -2.653 -0.761 -5.107 1.00 0.00 O ATOM 1270 CB CYS A 102 -5.517 -1.038 -5.813 1.00 0.00 C ATOM 1271 SG CYS A 102 -4.599 -1.636 -7.283 1.00 0.00 S ATOM 0 H CYS A 102 -3.521 -3.099 -4.233 1.00 0.00 H new ATOM 0 HA CYS A 102 -5.527 -1.488 -3.530 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -6.549 -1.383 -5.880 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -5.543 0.051 -5.835 1.00 0.00 H new ATOM 0 HG CYS A 102 -3.321 -1.528 -7.070 1.00 0.00 H new ATOM 1277 N ARG A 103 -3.870 0.764 -3.969 1.00 0.00 N ATOM 1278 CA ARG A 103 -2.858 1.828 -4.054 1.00 0.00 C ATOM 1279 C ARG A 103 -2.735 2.690 -2.741 1.00 0.00 C ATOM 1280 O ARG A 103 -3.652 2.818 -1.930 1.00 0.00 O ATOM 1281 CB ARG A 103 -3.071 2.743 -5.305 1.00 0.00 C ATOM 1282 CG ARG A 103 -4.016 2.345 -6.473 1.00 0.00 C ATOM 1283 CD ARG A 103 -4.167 3.406 -7.580 1.00 0.00 C ATOM 1284 NE ARG A 103 -5.302 3.072 -8.482 1.00 0.00 N ATOM 1285 CZ ARG A 103 -5.291 2.202 -9.485 1.00 0.00 C ATOM 1286 NH1 ARG A 103 -4.264 1.487 -9.829 1.00 0.00 N ATOM 1287 NH2 ARG A 103 -6.380 2.062 -10.153 1.00 0.00 N ATOM 0 H ARG A 103 -4.700 1.031 -3.439 1.00 0.00 H new ATOM 0 HA ARG A 103 -1.907 1.307 -4.171 1.00 0.00 H new ATOM 0 HB2 ARG A 103 -3.422 3.705 -4.933 1.00 0.00 H new ATOM 0 HB3 ARG A 103 -2.086 2.910 -5.742 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -3.645 1.424 -6.922 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -5.002 2.126 -6.064 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -4.330 4.386 -7.131 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -3.245 3.469 -8.157 1.00 0.00 H new ATOM 0 HE ARG A 103 -6.180 3.562 -8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -3.387 1.573 -9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -4.334 0.839 -10.613 1.00 0.00 H new ATOM 0 HH21 ARG A 103 -7.205 2.608 -9.904 1.00 0.00 H new ATOM 0 HH22 ARG A 103 -6.419 1.405 -10.932 1.00 0.00 H new ATOM 1300 N ILE A 104 -1.581 3.344 -2.600 1.00 0.00 N ATOM 1301 CA ILE A 104 -1.194 4.208 -1.445 1.00 0.00 C ATOM 1302 C ILE A 104 -0.843 5.669 -1.938 1.00 0.00 C ATOM 1303 O ILE A 104 -0.210 5.872 -2.982 1.00 0.00 O ATOM 1304 CB ILE A 104 0.096 3.541 -0.780 1.00 0.00 C ATOM 1305 CG1 ILE A 104 -0.118 2.058 -0.310 1.00 0.00 C ATOM 1306 CG2 ILE A 104 0.781 4.417 0.299 1.00 0.00 C ATOM 1307 CD1 ILE A 104 0.524 1.517 0.992 1.00 0.00 C ATOM 0 H ILE A 104 -0.849 3.295 -3.308 1.00 0.00 H new ATOM 0 HA ILE A 104 -2.015 4.285 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 104 0.809 3.486 -1.603 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.194 1.908 -0.218 1.00 0.00 H new ATOM 0 HG13 ILE A 104 0.225 1.417 -1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 104 1.647 3.890 0.699 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.103 5.358 -0.147 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.076 4.620 1.105 1.00 0.00 H new ATOM 0 HD11 ILE A 104 0.248 0.471 1.127 1.00 0.00 H new ATOM 0 HD12 ILE A 104 1.609 1.600 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 104 0.168 2.099 1.842 1.00 0.00 H new ATOM 1319 N THR A 105 -1.189 6.698 -1.143 1.00 0.00 N ATOM 1320 CA THR A 105 -0.820 8.128 -1.421 1.00 0.00 C ATOM 1321 C THR A 105 -0.441 8.766 -0.045 1.00 0.00 C ATOM 1322 O THR A 105 -1.342 9.043 0.751 1.00 0.00 O ATOM 1323 CB THR A 105 -1.947 8.827 -2.241 1.00 0.00 C ATOM 1324 OG1 THR A 105 -1.985 8.258 -3.546 1.00 0.00 O ATOM 1325 CG2 THR A 105 -1.768 10.337 -2.454 1.00 0.00 C ATOM 0 H THR A 105 -1.731 6.578 -0.287 1.00 0.00 H new ATOM 0 HA THR A 105 0.050 8.242 -2.067 1.00 0.00 H new ATOM 0 HB THR A 105 -2.852 8.676 -1.652 1.00 0.00 H new ATOM 0 HG1 THR A 105 -2.692 8.689 -4.070 1.00 0.00 H new ATOM 0 HG21 THR A 105 -2.605 10.724 -3.035 1.00 0.00 H new ATOM 0 HG22 THR A 105 -1.734 10.839 -1.487 1.00 0.00 H new ATOM 0 HG23 THR A 105 -0.838 10.521 -2.991 1.00 0.00 H new ATOM 1333 N CYS A 106 0.859 8.990 0.265 1.00 0.00 N ATOM 1334 CA CYS A 106 1.282 9.442 1.628 1.00 0.00 C ATOM 1335 C CYS A 106 2.008 10.814 1.763 1.00 0.00 C ATOM 1336 O CYS A 106 2.798 11.241 0.916 1.00 0.00 O ATOM 1337 CB CYS A 106 2.126 8.308 2.249 1.00 0.00 C ATOM 1338 SG CYS A 106 3.407 7.677 1.117 1.00 0.00 S ATOM 0 H CYS A 106 1.628 8.869 -0.394 1.00 0.00 H new ATOM 0 HA CYS A 106 0.354 9.640 2.164 1.00 0.00 H new ATOM 0 HB2 CYS A 106 2.601 8.672 3.160 1.00 0.00 H new ATOM 0 HB3 CYS A 106 1.468 7.489 2.538 1.00 0.00 H new ATOM 0 HG CYS A 106 3.422 8.397 0.035 1.00 0.00 H new ATOM 1344 N LYS A 107 1.746 11.461 2.912 1.00 0.00 N ATOM 1345 CA LYS A 107 2.383 12.750 3.293 1.00 0.00 C ATOM 1346 C LYS A 107 3.830 12.531 3.892 1.00 0.00 C ATOM 1347 O LYS A 107 4.011 11.526 4.593 1.00 0.00 O ATOM 1348 CB LYS A 107 1.488 13.420 4.379 1.00 0.00 C ATOM 1349 CG LYS A 107 1.720 14.937 4.591 1.00 0.00 C ATOM 1350 CD LYS A 107 0.943 15.588 5.759 1.00 0.00 C ATOM 1351 CE LYS A 107 1.647 15.530 7.129 1.00 0.00 C ATOM 1352 NZ LYS A 107 1.442 14.227 7.782 1.00 0.00 N ATOM 0 H LYS A 107 1.088 11.111 3.608 1.00 0.00 H new ATOM 0 HA LYS A 107 2.478 13.374 2.404 1.00 0.00 H new ATOM 0 HB2 LYS A 107 0.443 13.264 4.111 1.00 0.00 H new ATOM 0 HB3 LYS A 107 1.653 12.909 5.327 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.785 15.102 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 107 1.454 15.457 3.670 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.753 16.632 5.510 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -0.027 15.099 5.846 1.00 0.00 H new ATOM 0 HE2 LYS A 107 2.714 15.710 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.265 16.324 7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.716 14.294 8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 0.440 13.959 7.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.026 13.507 7.311 1.00 0.00 H new ATOM 1365 N PRO A 108 4.845 13.439 3.740 1.00 0.00 N ATOM 1366 CA PRO A 108 6.208 13.288 4.346 1.00 0.00 C ATOM 1367 C PRO A 108 6.423 12.657 5.764 1.00 0.00 C ATOM 1368 O PRO A 108 7.422 11.958 5.961 1.00 0.00 O ATOM 1369 CB PRO A 108 6.736 14.732 4.188 1.00 0.00 C ATOM 1370 CG PRO A 108 6.254 15.064 2.783 1.00 0.00 C ATOM 1371 CD PRO A 108 4.812 14.566 2.777 1.00 0.00 C ATOM 0 HA PRO A 108 6.752 12.489 3.842 1.00 0.00 H new ATOM 0 HB2 PRO A 108 6.321 15.407 4.937 1.00 0.00 H new ATOM 0 HB3 PRO A 108 7.821 14.786 4.276 1.00 0.00 H new ATOM 0 HG2 PRO A 108 6.311 16.134 2.581 1.00 0.00 H new ATOM 0 HG3 PRO A 108 6.855 14.564 2.023 1.00 0.00 H new ATOM 0 HD2 PRO A 108 4.115 15.344 3.089 1.00 0.00 H new ATOM 0 HD3 PRO A 108 4.502 14.240 1.784 1.00 0.00 H new ATOM 1379 N GLU A 109 5.495 12.833 6.725 1.00 0.00 N ATOM 1380 CA GLU A 109 5.603 12.208 8.071 1.00 0.00 C ATOM 1381 C GLU A 109 5.554 10.654 8.081 1.00 0.00 C ATOM 1382 O GLU A 109 6.337 10.002 8.775 1.00 0.00 O ATOM 1383 CB GLU A 109 4.507 12.855 8.966 1.00 0.00 C ATOM 1384 CG GLU A 109 4.443 12.436 10.463 1.00 0.00 C ATOM 1385 CD GLU A 109 3.056 12.592 11.090 1.00 0.00 C ATOM 1386 OE1 GLU A 109 2.398 11.650 11.520 1.00 0.00 O ATOM 1387 OE2 GLU A 109 2.619 13.880 11.086 1.00 0.00 O ATOM 0 H GLU A 109 4.658 13.403 6.600 1.00 0.00 H new ATOM 0 HA GLU A 109 6.598 12.409 8.468 1.00 0.00 H new ATOM 0 HB2 GLU A 109 4.640 13.936 8.928 1.00 0.00 H new ATOM 0 HB3 GLU A 109 3.538 12.637 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 109 4.757 11.396 10.553 1.00 0.00 H new ATOM 0 HG3 GLU A 109 5.157 13.035 11.029 1.00 0.00 H new ATOM 1395 N TYR A 110 4.622 10.078 7.321 1.00 0.00 N ATOM 1396 CA TYR A 110 4.534 8.630 7.129 1.00 0.00 C ATOM 1397 C TYR A 110 5.558 8.054 6.100 1.00 0.00 C ATOM 1398 O TYR A 110 5.582 6.826 5.985 1.00 0.00 O ATOM 1399 CB TYR A 110 3.077 8.335 6.697 1.00 0.00 C ATOM 1400 CG TYR A 110 1.953 8.311 7.766 1.00 0.00 C ATOM 1401 CD1 TYR A 110 2.045 8.972 8.999 1.00 0.00 C ATOM 1402 CD2 TYR A 110 0.830 7.514 7.516 1.00 0.00 C ATOM 1403 CE1 TYR A 110 1.057 8.817 9.965 1.00 0.00 C ATOM 1404 CE2 TYR A 110 -0.164 7.372 8.478 1.00 0.00 C ATOM 1405 CZ TYR A 110 -0.045 8.010 9.706 1.00 0.00 C ATOM 1406 OH TYR A 110 -0.997 7.803 10.668 1.00 0.00 O ATOM 0 H TYR A 110 3.905 10.603 6.820 1.00 0.00 H new ATOM 0 HA TYR A 110 4.795 8.132 8.063 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.801 9.079 5.950 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.074 7.366 6.198 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.893 9.609 9.201 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.735 7.005 6.568 1.00 0.00 H new ATOM 0 HE1 TYR A 110 1.146 9.323 10.915 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -1.032 6.763 8.270 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.696 7.214 10.315 1.00 0.00 H new ATOM 1416 N ALA A 111 6.370 8.853 5.357 1.00 0.00 N ATOM 1417 CA ALA A 111 7.301 8.267 4.352 1.00 0.00 C ATOM 1418 C ALA A 111 8.753 8.878 4.380 1.00 0.00 C ATOM 1419 O ALA A 111 9.189 9.332 5.443 1.00 0.00 O ATOM 1420 CB ALA A 111 6.546 8.434 3.015 1.00 0.00 C ATOM 0 H ALA A 111 6.401 9.870 5.429 1.00 0.00 H new ATOM 0 HA ALA A 111 7.527 7.220 4.556 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.151 8.031 2.203 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.598 7.898 3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 111 6.355 9.492 2.834 1.00 0.00 H new ATOM 1426 N TYR A 112 9.551 8.892 3.272 1.00 0.00 N ATOM 1427 CA TYR A 112 10.912 9.509 3.302 1.00 0.00 C ATOM 1428 C TYR A 112 10.899 11.073 3.117 1.00 0.00 C ATOM 1429 O TYR A 112 11.984 11.627 2.934 1.00 0.00 O ATOM 1430 CB TYR A 112 11.980 8.777 2.412 1.00 0.00 C ATOM 1431 CG TYR A 112 11.612 7.681 1.386 1.00 0.00 C ATOM 1432 CD1 TYR A 112 11.616 6.347 1.800 1.00 0.00 C ATOM 1433 CD2 TYR A 112 11.479 7.967 0.020 1.00 0.00 C ATOM 1434 CE1 TYR A 112 11.521 5.314 0.873 1.00 0.00 C ATOM 1435 CE2 TYR A 112 11.435 6.928 -0.912 1.00 0.00 C ATOM 1436 CZ TYR A 112 11.451 5.605 -0.483 1.00 0.00 C ATOM 1437 OH TYR A 112 11.396 4.585 -1.390 1.00 0.00 O ATOM 0 H TYR A 112 9.285 8.495 2.371 1.00 0.00 H new ATOM 0 HA TYR A 112 11.258 9.343 4.322 1.00 0.00 H new ATOM 0 HB2 TYR A 112 12.507 9.554 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 112 12.700 8.330 3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 112 11.694 6.115 2.852 1.00 0.00 H new ATOM 0 HD2 TYR A 112 11.410 8.992 -0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 112 11.502 4.287 1.207 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.388 7.152 -1.967 1.00 0.00 H new ATOM 0 HH TYR A 112 10.934 4.891 -2.199 1.00 0.00 H new ATOM 1447 N GLY A 113 9.770 11.839 3.168 1.00 0.00 N ATOM 1448 CA GLY A 113 9.857 13.317 3.089 1.00 0.00 C ATOM 1449 C GLY A 113 10.378 14.022 4.371 1.00 0.00 C ATOM 1450 O GLY A 113 11.084 15.019 4.282 1.00 0.00 O ATOM 0 H GLY A 113 8.824 11.468 3.260 1.00 0.00 H new ATOM 0 HA2 GLY A 113 10.511 13.582 2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 113 8.868 13.710 2.855 1.00 0.00 H new ATOM 1454 N SER A 114 9.989 13.546 5.560 1.00 0.00 N ATOM 1455 CA SER A 114 10.497 14.068 6.860 1.00 0.00 C ATOM 1456 C SER A 114 11.998 13.695 7.150 1.00 0.00 C ATOM 1457 O SER A 114 12.795 14.587 7.448 1.00 0.00 O ATOM 1458 CB SER A 114 9.516 13.623 7.975 1.00 0.00 C ATOM 1459 OG SER A 114 9.343 12.200 8.043 1.00 0.00 O ATOM 0 H SER A 114 9.314 12.788 5.661 1.00 0.00 H new ATOM 0 HA SER A 114 10.522 15.157 6.821 1.00 0.00 H new ATOM 0 HB2 SER A 114 9.881 13.984 8.936 1.00 0.00 H new ATOM 0 HB3 SER A 114 8.547 14.092 7.806 1.00 0.00 H new ATOM 0 HG SER A 114 8.688 11.918 7.371 1.00 0.00 H new ATOM 1465 N ALA A 115 12.380 12.408 7.050 1.00 0.00 N ATOM 1466 CA ALA A 115 13.779 11.949 7.282 1.00 0.00 C ATOM 1467 C ALA A 115 14.740 11.867 6.041 1.00 0.00 C ATOM 1468 O ALA A 115 15.941 12.096 6.202 1.00 0.00 O ATOM 1469 CB ALA A 115 13.661 10.591 8.003 1.00 0.00 C ATOM 0 H ALA A 115 11.737 11.654 6.808 1.00 0.00 H new ATOM 0 HA ALA A 115 14.277 12.719 7.871 1.00 0.00 H new ATOM 0 HB1 ALA A 115 14.658 10.198 8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 115 13.127 10.724 8.944 1.00 0.00 H new ATOM 0 HB3 ALA A 115 13.115 9.890 7.372 1.00 0.00 H new ATOM 1475 N GLY A 116 14.255 11.516 4.835 1.00 0.00 N ATOM 1476 CA GLY A 116 15.087 11.379 3.620 1.00 0.00 C ATOM 1477 C GLY A 116 15.498 9.926 3.313 1.00 0.00 C ATOM 1478 O GLY A 116 15.768 9.119 4.209 1.00 0.00 O ATOM 0 H GLY A 116 13.268 11.318 4.673 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.539 11.780 2.768 1.00 0.00 H new ATOM 0 HA3 GLY A 116 15.986 11.985 3.735 1.00 0.00 H new ATOM 1482 N SER A 117 15.516 9.575 2.026 1.00 0.00 N ATOM 1483 CA SER A 117 15.908 8.217 1.580 1.00 0.00 C ATOM 1484 C SER A 117 17.427 8.150 1.174 1.00 0.00 C ATOM 1485 O SER A 117 17.916 9.129 0.592 1.00 0.00 O ATOM 1486 CB SER A 117 15.056 7.797 0.363 1.00 0.00 C ATOM 1487 OG SER A 117 14.955 6.376 0.258 1.00 0.00 O ATOM 0 H SER A 117 15.265 10.206 1.265 1.00 0.00 H new ATOM 0 HA SER A 117 15.741 7.541 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 117 14.059 8.228 0.450 1.00 0.00 H new ATOM 0 HB3 SER A 117 15.499 8.199 -0.548 1.00 0.00 H new ATOM 0 HG SER A 117 14.030 6.100 0.426 1.00 0.00 H new ATOM 1493 N PRO A 118 18.183 7.030 1.382 1.00 0.00 N ATOM 1494 CA PRO A 118 19.592 6.883 0.909 1.00 0.00 C ATOM 1495 C PRO A 118 19.979 7.408 -0.535 1.00 0.00 C ATOM 1496 O PRO A 118 21.025 8.062 -0.608 1.00 0.00 O ATOM 1497 CB PRO A 118 19.859 5.382 1.131 1.00 0.00 C ATOM 1498 CG PRO A 118 18.948 4.987 2.297 1.00 0.00 C ATOM 1499 CD PRO A 118 17.718 5.893 2.190 1.00 0.00 C ATOM 0 HA PRO A 118 20.243 7.557 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 118 19.629 4.803 0.236 1.00 0.00 H new ATOM 0 HB3 PRO A 118 20.907 5.198 1.369 1.00 0.00 H new ATOM 0 HG2 PRO A 118 18.666 3.936 2.235 1.00 0.00 H new ATOM 0 HG3 PRO A 118 19.454 5.125 3.253 1.00 0.00 H new ATOM 0 HD2 PRO A 118 16.884 5.379 1.713 1.00 0.00 H new ATOM 0 HD3 PRO A 118 17.373 6.216 3.172 1.00 0.00 H new ATOM 1507 N PRO A 119 19.230 7.226 -1.675 1.00 0.00 N ATOM 1508 CA PRO A 119 19.620 7.811 -2.995 1.00 0.00 C ATOM 1509 C PRO A 119 19.291 9.350 -3.181 1.00 0.00 C ATOM 1510 O PRO A 119 18.597 9.739 -4.125 1.00 0.00 O ATOM 1511 CB PRO A 119 18.881 6.863 -3.965 1.00 0.00 C ATOM 1512 CG PRO A 119 17.612 6.453 -3.218 1.00 0.00 C ATOM 1513 CD PRO A 119 18.083 6.297 -1.774 1.00 0.00 C ATOM 0 HA PRO A 119 20.698 7.849 -3.151 1.00 0.00 H new ATOM 0 HB2 PRO A 119 18.643 7.364 -4.904 1.00 0.00 H new ATOM 0 HB3 PRO A 119 19.492 5.995 -4.213 1.00 0.00 H new ATOM 0 HG2 PRO A 119 16.832 7.209 -3.306 1.00 0.00 H new ATOM 0 HG3 PRO A 119 17.199 5.523 -3.608 1.00 0.00 H new ATOM 0 HD2 PRO A 119 17.296 6.556 -1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 119 18.380 5.271 -1.559 1.00 0.00 H new ATOM 1521 N LYS A 120 19.805 10.232 -2.295 1.00 0.00 N ATOM 1522 CA LYS A 120 19.668 11.730 -2.389 1.00 0.00 C ATOM 1523 C LYS A 120 18.239 12.406 -2.338 1.00 0.00 C ATOM 1524 O LYS A 120 18.002 13.471 -2.922 1.00 0.00 O ATOM 1525 CB LYS A 120 20.475 12.255 -3.600 1.00 0.00 C ATOM 1526 CG LYS A 120 22.000 11.987 -3.621 1.00 0.00 C ATOM 1527 CD LYS A 120 22.673 12.587 -4.869 1.00 0.00 C ATOM 1528 CE LYS A 120 24.183 12.312 -4.897 1.00 0.00 C ATOM 1529 NZ LYS A 120 24.768 12.914 -6.112 1.00 0.00 N ATOM 0 H LYS A 120 20.337 9.934 -1.477 1.00 0.00 H new ATOM 0 HA LYS A 120 20.074 12.047 -1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 120 20.046 11.820 -4.503 1.00 0.00 H new ATOM 0 HB3 LYS A 120 20.323 13.333 -3.662 1.00 0.00 H new ATOM 0 HG2 LYS A 120 22.455 12.410 -2.725 1.00 0.00 H new ATOM 0 HG3 LYS A 120 22.180 10.912 -3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 120 22.212 12.171 -5.765 1.00 0.00 H new ATOM 0 HD3 LYS A 120 22.500 13.663 -4.892 1.00 0.00 H new ATOM 0 HE2 LYS A 120 24.656 12.728 -4.008 1.00 0.00 H new ATOM 0 HE3 LYS A 120 24.369 11.238 -4.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 25.791 12.729 -6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 24.323 12.497 -6.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 24.602 13.941 -6.105 1.00 0.00 H new ATOM 1542 N ILE A 121 17.302 11.834 -1.585 1.00 0.00 N ATOM 1543 CA ILE A 121 15.919 12.412 -1.416 1.00 0.00 C ATOM 1544 C ILE A 121 15.967 13.532 -0.289 1.00 0.00 C ATOM 1545 O ILE A 121 16.246 13.169 0.862 1.00 0.00 O ATOM 1546 CB ILE A 121 14.787 11.337 -1.195 1.00 0.00 C ATOM 1547 CG1 ILE A 121 14.681 10.341 -2.393 1.00 0.00 C ATOM 1548 CG2 ILE A 121 13.406 11.993 -0.891 1.00 0.00 C ATOM 1549 CD1 ILE A 121 13.464 9.424 -2.479 1.00 0.00 C ATOM 0 H ILE A 121 17.451 10.966 -1.070 1.00 0.00 H new ATOM 0 HA ILE A 121 15.626 12.873 -2.359 1.00 0.00 H new ATOM 0 HB ILE A 121 15.078 10.763 -0.315 1.00 0.00 H new ATOM 0 HG12 ILE A 121 14.720 10.925 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 121 15.570 9.710 -2.378 1.00 0.00 H new ATOM 0 HG21 ILE A 121 12.657 11.214 -0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 121 13.481 12.597 0.013 1.00 0.00 H new ATOM 0 HG23 ILE A 121 13.112 12.627 -1.727 1.00 0.00 H new ATOM 0 HD11 ILE A 121 13.543 8.796 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 121 13.420 8.793 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 121 12.558 10.027 -2.541 1.00 0.00 H new ATOM 1561 N PRO A 122 15.678 14.854 -0.522 1.00 0.00 N ATOM 1562 CA PRO A 122 15.777 15.898 0.539 1.00 0.00 C ATOM 1563 C PRO A 122 14.464 16.159 1.388 1.00 0.00 C ATOM 1564 O PRO A 122 13.426 15.546 1.105 1.00 0.00 O ATOM 1565 CB PRO A 122 16.208 17.092 -0.341 1.00 0.00 C ATOM 1566 CG PRO A 122 15.437 16.927 -1.652 1.00 0.00 C ATOM 1567 CD PRO A 122 15.296 15.415 -1.838 1.00 0.00 C ATOM 0 HA PRO A 122 16.451 15.638 1.355 1.00 0.00 H new ATOM 0 HB2 PRO A 122 15.969 18.041 0.139 1.00 0.00 H new ATOM 0 HB3 PRO A 122 17.284 17.085 -0.514 1.00 0.00 H new ATOM 0 HG2 PRO A 122 14.462 17.411 -1.601 1.00 0.00 H new ATOM 0 HG3 PRO A 122 15.974 17.379 -2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 122 14.277 15.140 -2.108 1.00 0.00 H new ATOM 0 HD3 PRO A 122 15.946 15.048 -2.632 1.00 0.00 H new ATOM 1575 N PRO A 123 14.450 17.068 2.417 1.00 0.00 N ATOM 1576 CA PRO A 123 13.232 17.363 3.226 1.00 0.00 C ATOM 1577 C PRO A 123 11.950 17.861 2.460 1.00 0.00 C ATOM 1578 O PRO A 123 12.019 18.532 1.428 1.00 0.00 O ATOM 1579 CB PRO A 123 13.745 18.405 4.238 1.00 0.00 C ATOM 1580 CG PRO A 123 15.225 18.066 4.410 1.00 0.00 C ATOM 1581 CD PRO A 123 15.670 17.664 3.005 1.00 0.00 C ATOM 0 HA PRO A 123 12.843 16.441 3.658 1.00 0.00 H new ATOM 0 HB2 PRO A 123 13.610 19.421 3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 123 13.209 18.338 5.185 1.00 0.00 H new ATOM 0 HG2 PRO A 123 15.791 18.921 4.780 1.00 0.00 H new ATOM 0 HG3 PRO A 123 15.370 17.255 5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 123 16.014 18.524 2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 123 16.493 16.950 3.033 1.00 0.00 H new ATOM 1589 N ASN A 124 10.771 17.554 3.032 1.00 0.00 N ATOM 1590 CA ASN A 124 9.420 17.868 2.471 1.00 0.00 C ATOM 1591 C ASN A 124 9.103 17.244 1.049 1.00 0.00 C ATOM 1592 O ASN A 124 8.502 17.885 0.182 1.00 0.00 O ATOM 1593 CB ASN A 124 9.171 19.391 2.635 1.00 0.00 C ATOM 1594 CG ASN A 124 7.712 19.857 2.507 1.00 0.00 C ATOM 1595 OD1 ASN A 124 6.770 19.074 2.447 1.00 0.00 O ATOM 1596 ND2 ASN A 124 7.429 21.136 2.527 1.00 0.00 N ATOM 0 H ASN A 124 10.718 17.065 3.926 1.00 0.00 H new ATOM 0 HA ASN A 124 8.663 17.341 3.052 1.00 0.00 H new ATOM 0 HB2 ASN A 124 9.544 19.696 3.613 1.00 0.00 H new ATOM 0 HB3 ASN A 124 9.766 19.918 1.889 1.00 0.00 H new ATOM 0 HD21 ASN A 124 6.457 21.444 2.493 1.00 0.00 H new ATOM 0 HD22 ASN A 124 8.180 21.824 2.576 1.00 0.00 H new ATOM 1603 N ALA A 125 9.445 15.959 0.836 1.00 0.00 N ATOM 1604 CA ALA A 125 9.218 15.253 -0.451 1.00 0.00 C ATOM 1605 C ALA A 125 8.053 14.222 -0.307 1.00 0.00 C ATOM 1606 O ALA A 125 8.201 13.180 0.340 1.00 0.00 O ATOM 1607 CB ALA A 125 10.565 14.613 -0.837 1.00 0.00 C ATOM 0 H ALA A 125 9.887 15.377 1.547 1.00 0.00 H new ATOM 0 HA ALA A 125 8.902 15.927 -1.247 1.00 0.00 H new ATOM 0 HB1 ALA A 125 10.457 14.078 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 125 11.320 15.392 -0.946 1.00 0.00 H new ATOM 0 HB3 ALA A 125 10.873 13.916 -0.058 1.00 0.00 H new ATOM 1613 N THR A 126 6.864 14.527 -0.863 1.00 0.00 N ATOM 1614 CA THR A 126 5.665 13.625 -0.773 1.00 0.00 C ATOM 1615 C THR A 126 5.895 12.262 -1.562 1.00 0.00 C ATOM 1616 O THR A 126 6.651 12.251 -2.541 1.00 0.00 O ATOM 1617 CB THR A 126 4.430 14.473 -1.219 1.00 0.00 C ATOM 1618 OG1 THR A 126 4.274 15.610 -0.371 1.00 0.00 O ATOM 1619 CG2 THR A 126 3.074 13.766 -1.175 1.00 0.00 C ATOM 0 H THR A 126 6.693 15.388 -1.382 1.00 0.00 H new ATOM 0 HA THR A 126 5.481 13.279 0.244 1.00 0.00 H new ATOM 0 HB THR A 126 4.665 14.710 -2.257 1.00 0.00 H new ATOM 0 HG1 THR A 126 3.498 16.132 -0.663 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.295 14.453 -1.506 1.00 0.00 H new ATOM 0 HG22 THR A 126 3.095 12.897 -1.833 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.865 13.444 -0.155 1.00 0.00 H new ATOM 1627 N LEU A 127 5.292 11.113 -1.170 1.00 0.00 N ATOM 1628 CA LEU A 127 5.590 9.794 -1.815 1.00 0.00 C ATOM 1629 C LEU A 127 4.284 9.017 -2.167 1.00 0.00 C ATOM 1630 O LEU A 127 3.223 9.209 -1.559 1.00 0.00 O ATOM 1631 CB LEU A 127 6.459 8.998 -0.786 1.00 0.00 C ATOM 1632 CG LEU A 127 7.467 7.962 -1.319 1.00 0.00 C ATOM 1633 CD1 LEU A 127 8.537 8.645 -2.164 1.00 0.00 C ATOM 1634 CD2 LEU A 127 8.124 7.226 -0.150 1.00 0.00 C ATOM 0 H LEU A 127 4.603 11.064 -0.420 1.00 0.00 H new ATOM 0 HA LEU A 127 6.116 9.933 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 127 7.013 9.723 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 127 5.779 8.481 -0.109 1.00 0.00 H new ATOM 0 HG LEU A 127 6.932 7.245 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 127 9.241 7.899 -2.533 1.00 0.00 H new ATOM 0 HD12 LEU A 127 8.067 9.149 -3.009 1.00 0.00 H new ATOM 0 HD13 LEU A 127 9.069 9.376 -1.556 1.00 0.00 H new ATOM 0 HD21 LEU A 127 8.836 6.495 -0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 127 8.646 7.943 0.484 1.00 0.00 H new ATOM 0 HD23 LEU A 127 7.359 6.715 0.435 1.00 0.00 H new ATOM 1646 N VAL A 128 4.371 8.090 -3.125 1.00 0.00 N ATOM 1647 CA VAL A 128 3.221 7.285 -3.586 1.00 0.00 C ATOM 1648 C VAL A 128 3.649 5.845 -4.020 1.00 0.00 C ATOM 1649 O VAL A 128 4.719 5.648 -4.609 1.00 0.00 O ATOM 1650 CB VAL A 128 2.483 8.003 -4.767 1.00 0.00 C ATOM 1651 CG1 VAL A 128 1.755 9.325 -4.444 1.00 0.00 C ATOM 1652 CG2 VAL A 128 3.260 8.202 -6.085 1.00 0.00 C ATOM 0 H VAL A 128 5.242 7.871 -3.609 1.00 0.00 H new ATOM 0 HA VAL A 128 2.539 7.188 -2.741 1.00 0.00 H new ATOM 0 HB VAL A 128 1.739 7.223 -4.928 1.00 0.00 H new ATOM 0 HG11 VAL A 128 1.288 9.714 -5.349 1.00 0.00 H new ATOM 0 HG12 VAL A 128 0.989 9.144 -3.690 1.00 0.00 H new ATOM 0 HG13 VAL A 128 2.473 10.052 -4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 128 2.624 8.711 -6.809 1.00 0.00 H new ATOM 0 HG22 VAL A 128 4.149 8.804 -5.896 1.00 0.00 H new ATOM 0 HG23 VAL A 128 3.557 7.231 -6.482 1.00 0.00 H new ATOM 1662 N PHE A 129 2.806 4.831 -3.759 1.00 0.00 N ATOM 1663 CA PHE A 129 3.096 3.442 -4.252 1.00 0.00 C ATOM 1664 C PHE A 129 1.759 2.703 -4.584 1.00 0.00 C ATOM 1665 O PHE A 129 0.819 2.730 -3.796 1.00 0.00 O ATOM 1666 CB PHE A 129 3.996 2.532 -3.364 1.00 0.00 C ATOM 1667 CG PHE A 129 5.336 2.946 -2.764 1.00 0.00 C ATOM 1668 CD1 PHE A 129 5.356 3.925 -1.775 1.00 0.00 C ATOM 1669 CD2 PHE A 129 6.504 2.225 -3.042 1.00 0.00 C ATOM 1670 CE1 PHE A 129 6.544 4.256 -1.142 1.00 0.00 C ATOM 1671 CE2 PHE A 129 7.696 2.553 -2.398 1.00 0.00 C ATOM 1672 CZ PHE A 129 7.716 3.570 -1.448 1.00 0.00 C ATOM 0 H PHE A 129 1.940 4.924 -3.228 1.00 0.00 H new ATOM 0 HA PHE A 129 3.705 3.613 -5.140 1.00 0.00 H new ATOM 0 HB2 PHE A 129 3.374 2.224 -2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 129 4.196 1.639 -3.956 1.00 0.00 H new ATOM 0 HD1 PHE A 129 4.442 4.429 -1.499 1.00 0.00 H new ATOM 0 HD2 PHE A 129 6.481 1.415 -3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 129 6.560 5.049 -0.409 1.00 0.00 H new ATOM 0 HE2 PHE A 129 8.604 2.018 -2.636 1.00 0.00 H new ATOM 0 HZ PHE A 129 8.639 3.826 -0.949 1.00 0.00 H new ATOM 1682 N GLU A 130 1.647 2.008 -5.722 1.00 0.00 N ATOM 1683 CA GLU A 130 0.474 1.122 -5.997 1.00 0.00 C ATOM 1684 C GLU A 130 0.900 -0.248 -5.382 1.00 0.00 C ATOM 1685 O GLU A 130 1.880 -0.852 -5.834 1.00 0.00 O ATOM 1686 CB GLU A 130 0.113 0.984 -7.483 1.00 0.00 C ATOM 1687 CG GLU A 130 -0.441 2.243 -8.189 1.00 0.00 C ATOM 1688 CD GLU A 130 -0.737 2.088 -9.680 1.00 0.00 C ATOM 1689 OE1 GLU A 130 -1.086 1.042 -10.216 1.00 0.00 O ATOM 1690 OE2 GLU A 130 -0.601 3.262 -10.350 1.00 0.00 O ATOM 0 H GLU A 130 2.339 2.031 -6.471 1.00 0.00 H new ATOM 0 HA GLU A 130 -0.437 1.537 -5.565 1.00 0.00 H new ATOM 0 HB2 GLU A 130 1.004 0.659 -8.020 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -0.626 0.188 -7.580 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -1.358 2.546 -7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 130 0.276 3.054 -8.062 1.00 0.00 H new ATOM 1698 N VAL A 131 0.236 -0.704 -4.315 1.00 0.00 N ATOM 1699 CA VAL A 131 0.742 -1.854 -3.527 1.00 0.00 C ATOM 1700 C VAL A 131 -0.392 -2.812 -3.159 1.00 0.00 C ATOM 1701 O VAL A 131 -1.548 -2.387 -3.017 1.00 0.00 O ATOM 1702 CB VAL A 131 1.294 -1.273 -2.164 1.00 0.00 C ATOM 1703 CG1 VAL A 131 1.963 -2.296 -1.226 1.00 0.00 C ATOM 1704 CG2 VAL A 131 2.323 -0.146 -2.296 1.00 0.00 C ATOM 0 H VAL A 131 -0.640 -0.308 -3.974 1.00 0.00 H new ATOM 0 HA VAL A 131 1.494 -2.383 -4.112 1.00 0.00 H new ATOM 0 HB VAL A 131 0.357 -0.907 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 131 2.305 -1.792 -0.322 1.00 0.00 H new ATOM 0 HG12 VAL A 131 1.243 -3.070 -0.959 1.00 0.00 H new ATOM 0 HG13 VAL A 131 2.815 -2.751 -1.732 1.00 0.00 H new ATOM 0 HG21 VAL A 131 2.636 0.179 -1.304 1.00 0.00 H new ATOM 0 HG22 VAL A 131 3.190 -0.508 -2.849 1.00 0.00 H new ATOM 0 HG23 VAL A 131 1.877 0.693 -2.829 1.00 0.00 H new ATOM 1714 N GLU A 132 -0.042 -4.100 -2.968 1.00 0.00 N ATOM 1715 CA GLU A 132 -0.972 -5.022 -2.275 1.00 0.00 C ATOM 1716 C GLU A 132 -0.336 -6.251 -1.553 1.00 0.00 C ATOM 1717 O GLU A 132 0.875 -6.255 -1.303 1.00 0.00 O ATOM 1718 CB GLU A 132 -2.392 -5.127 -2.736 1.00 0.00 C ATOM 1719 CG GLU A 132 -3.568 -4.994 -1.687 1.00 0.00 C ATOM 1720 CD GLU A 132 -3.975 -3.599 -1.201 1.00 0.00 C ATOM 1721 OE1 GLU A 132 -5.117 -3.170 -1.271 1.00 0.00 O ATOM 1722 OE2 GLU A 132 -2.954 -2.895 -0.655 1.00 0.00 O ATOM 0 H GLU A 132 0.840 -4.516 -3.269 1.00 0.00 H new ATOM 0 HA GLU A 132 -1.207 -4.383 -1.424 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -2.545 -4.361 -3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -2.504 -6.092 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -4.451 -5.462 -2.122 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -3.295 -5.581 -0.810 1.00 0.00 H new ATOM 1730 N LEU A 133 -1.140 -7.278 -1.191 1.00 0.00 N ATOM 1731 CA LEU A 133 -0.624 -8.417 -0.366 1.00 0.00 C ATOM 1732 C LEU A 133 -1.264 -9.786 -0.735 1.00 0.00 C ATOM 1733 O LEU A 133 -2.484 -9.963 -0.781 1.00 0.00 O ATOM 1734 CB LEU A 133 -0.823 -8.040 1.140 1.00 0.00 C ATOM 1735 CG LEU A 133 -0.395 -8.982 2.297 1.00 0.00 C ATOM 1736 CD1 LEU A 133 -0.407 -8.185 3.611 1.00 0.00 C ATOM 1737 CD2 LEU A 133 -1.336 -10.169 2.574 1.00 0.00 C ATOM 0 H LEU A 133 -2.125 -7.350 -1.445 1.00 0.00 H new ATOM 0 HA LEU A 133 0.436 -8.562 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -0.302 -7.096 1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -1.887 -7.843 1.275 1.00 0.00 H new ATOM 0 HG LEU A 133 0.575 -9.367 1.983 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -0.108 -8.835 4.433 1.00 0.00 H new ATOM 0 HD12 LEU A 133 0.290 -7.350 3.537 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -1.411 -7.804 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -0.942 -10.761 3.400 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -2.326 -9.795 2.835 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -1.407 -10.793 1.683 1.00 0.00 H new ATOM 1749 N PHE A 134 -0.387 -10.780 -0.873 1.00 0.00 N ATOM 1750 CA PHE A 134 -0.753 -12.181 -1.211 1.00 0.00 C ATOM 1751 C PHE A 134 -1.038 -13.112 0.018 1.00 0.00 C ATOM 1752 O PHE A 134 -2.001 -13.879 0.041 1.00 0.00 O ATOM 1753 CB PHE A 134 0.409 -12.758 -2.079 1.00 0.00 C ATOM 1754 CG PHE A 134 0.797 -11.987 -3.356 1.00 0.00 C ATOM 1755 CD1 PHE A 134 -0.163 -11.714 -4.336 1.00 0.00 C ATOM 1756 CD2 PHE A 134 2.084 -11.448 -3.487 1.00 0.00 C ATOM 1757 CE1 PHE A 134 0.162 -10.943 -5.445 1.00 0.00 C ATOM 1758 CE2 PHE A 134 2.413 -10.698 -4.610 1.00 0.00 C ATOM 1759 CZ PHE A 134 1.453 -10.454 -5.591 1.00 0.00 C ATOM 0 H PHE A 134 0.617 -10.646 -0.754 1.00 0.00 H new ATOM 0 HA PHE A 134 -1.703 -12.156 -1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 134 1.295 -12.831 -1.448 1.00 0.00 H new ATOM 0 HB3 PHE A 134 0.140 -13.774 -2.369 1.00 0.00 H new ATOM 0 HD1 PHE A 134 -1.164 -12.105 -4.230 1.00 0.00 H new ATOM 0 HD2 PHE A 134 2.820 -11.615 -2.715 1.00 0.00 H new ATOM 0 HE1 PHE A 134 -0.587 -10.725 -6.191 1.00 0.00 H new ATOM 0 HE2 PHE A 134 3.412 -10.304 -4.723 1.00 0.00 H new ATOM 0 HZ PHE A 134 1.715 -9.882 -6.469 1.00 0.00 H new ATOM 1769 N GLU A 135 -0.135 -13.074 1.004 1.00 0.00 N ATOM 1770 CA GLU A 135 -0.193 -13.876 2.250 1.00 0.00 C ATOM 1771 C GLU A 135 0.676 -13.168 3.352 1.00 0.00 C ATOM 1772 O GLU A 135 1.648 -12.449 3.086 1.00 0.00 O ATOM 1773 CB GLU A 135 0.310 -15.318 1.932 1.00 0.00 C ATOM 1774 CG GLU A 135 0.145 -16.363 3.068 1.00 0.00 C ATOM 1775 CD GLU A 135 0.621 -17.766 2.703 1.00 0.00 C ATOM 1776 OE1 GLU A 135 1.649 -18.267 3.145 1.00 0.00 O ATOM 1777 OE2 GLU A 135 -0.232 -18.387 1.840 1.00 0.00 O ATOM 0 H GLU A 135 0.685 -12.468 0.964 1.00 0.00 H new ATOM 0 HA GLU A 135 -1.211 -13.950 2.632 1.00 0.00 H new ATOM 0 HB2 GLU A 135 -0.221 -15.681 1.052 1.00 0.00 H new ATOM 0 HB3 GLU A 135 1.366 -15.263 1.667 1.00 0.00 H new ATOM 0 HG2 GLU A 135 0.697 -16.021 3.944 1.00 0.00 H new ATOM 0 HG3 GLU A 135 -0.906 -16.411 3.352 1.00 0.00 H new ATOM 1785 N PHE A 136 0.290 -13.367 4.612 1.00 0.00 N ATOM 1786 CA PHE A 136 1.011 -12.825 5.800 1.00 0.00 C ATOM 1787 C PHE A 136 0.929 -13.901 6.926 1.00 0.00 C ATOM 1788 O PHE A 136 1.667 -14.889 6.881 1.00 0.00 O ATOM 1789 CB PHE A 136 0.608 -11.330 6.122 1.00 0.00 C ATOM 1790 CG PHE A 136 -0.843 -10.878 6.408 1.00 0.00 C ATOM 1791 CD1 PHE A 136 -1.909 -11.768 6.245 1.00 0.00 C ATOM 1792 CD2 PHE A 136 -1.134 -9.510 6.576 1.00 0.00 C ATOM 1793 CE1 PHE A 136 -3.201 -11.319 6.109 1.00 0.00 C ATOM 1794 CE2 PHE A 136 -2.435 -9.053 6.384 1.00 0.00 C ATOM 1795 CZ PHE A 136 -3.446 -9.963 6.095 1.00 0.00 C ATOM 0 H PHE A 136 -0.537 -13.912 4.856 1.00 0.00 H new ATOM 0 HA PHE A 136 2.077 -12.679 5.626 1.00 0.00 H new ATOM 0 HB2 PHE A 136 1.198 -11.034 6.989 1.00 0.00 H new ATOM 0 HB3 PHE A 136 0.955 -10.731 5.280 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -1.713 -12.830 6.226 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -0.351 -8.819 6.852 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -4.016 -12.022 6.014 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -2.658 -7.999 6.459 1.00 0.00 H new ATOM 0 HZ PHE A 136 -4.436 -9.602 5.857 1.00 0.00 H new ATOM 1805 N LYS A 137 0.038 -13.739 7.911 1.00 0.00 N ATOM 1806 CA LYS A 137 -0.231 -14.758 8.949 1.00 0.00 C ATOM 1807 C LYS A 137 -1.693 -15.319 8.686 1.00 0.00 C ATOM 1808 O LYS A 137 -1.963 -15.670 7.530 1.00 0.00 O ATOM 1809 CB LYS A 137 0.296 -14.096 10.267 1.00 0.00 C ATOM 1810 CG LYS A 137 0.295 -15.032 11.485 1.00 0.00 C ATOM 1811 CD LYS A 137 -0.774 -14.709 12.548 1.00 0.00 C ATOM 1812 CE LYS A 137 -0.907 -15.840 13.577 1.00 0.00 C ATOM 1813 NZ LYS A 137 -1.960 -15.516 14.558 1.00 0.00 N ATOM 0 H LYS A 137 -0.524 -12.894 8.017 1.00 0.00 H new ATOM 0 HA LYS A 137 0.280 -15.720 8.982 1.00 0.00 H new ATOM 0 HB2 LYS A 137 1.311 -13.737 10.099 1.00 0.00 H new ATOM 0 HB3 LYS A 137 -0.317 -13.224 10.493 1.00 0.00 H new ATOM 0 HG2 LYS A 137 0.146 -16.055 11.139 1.00 0.00 H new ATOM 0 HG3 LYS A 137 1.278 -14.994 11.955 1.00 0.00 H new ATOM 0 HD2 LYS A 137 -0.513 -13.782 13.058 1.00 0.00 H new ATOM 0 HD3 LYS A 137 -1.735 -14.545 12.060 1.00 0.00 H new ATOM 0 HE2 LYS A 137 -1.147 -16.775 13.071 1.00 0.00 H new ATOM 0 HE3 LYS A 137 0.044 -15.989 14.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 -2.040 -16.289 15.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 -1.715 -14.634 15.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 -2.868 -15.396 14.066 1.00 0.00 H new ATOM 1826 N GLY A 138 -2.640 -15.473 9.639 1.00 0.00 N ATOM 1827 CA GLY A 138 -4.019 -15.962 9.325 1.00 0.00 C ATOM 1828 C GLY A 138 -5.148 -15.040 9.852 1.00 0.00 C ATOM 1829 O GLY A 138 -5.398 -14.016 9.216 1.00 0.00 O ATOM 0 H GLY A 138 -2.485 -15.270 10.627 1.00 0.00 H new ATOM 0 HA2 GLY A 138 -4.121 -16.063 8.244 1.00 0.00 H new ATOM 0 HA3 GLY A 138 -4.147 -16.957 9.752 1.00 0.00 H new