USER MOD reduce.3.24.130724 H: found=0, std=0, add=308, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 311 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 129 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 152 SER OG : rot -160:sc= -0.189 USER MOD Set 2.1: A 131 THR OG1 : rot 59:sc= 1.32 USER MOD Set 2.2: A 148 THR OG1 : rot -8:sc= 0.298 USER MOD Set 3.1: A 105 THR OG1 : rot 160:sc= -0.414 USER MOD Set 3.2: A 119 THR OG1 : rot 148:sc= 1.03 USER MOD Single : A 100 MET CE :methyl 155:sc=-0.00196 (180deg=-0.739) USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 CYS SG : rot 180:sc= 0.148 USER MOD Single : A 117 THR OG1 : rot 35:sc= 0.38 USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 THR OG1 : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 83:sc= 0.559 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 153 SER OG : rot 180:sc= 0 USER MOD Single : A 154 SER OG : rot 51:sc= 0.00377 USER MOD Single : A 178 ASN : amide:sc= -1.74 K(o=-1.7,f=-7.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 1.177 -1.464 0.352 1.00 0.00 N ATOM 2 CA MET A 100 1.800 -1.490 -0.967 1.00 0.00 C ATOM 3 C MET A 100 3.230 -2.015 -0.882 1.00 0.00 C ATOM 4 O MET A 100 3.878 -1.914 0.160 1.00 0.00 O ATOM 5 CB MET A 100 1.795 -0.090 -1.584 1.00 0.00 C ATOM 6 CG MET A 100 2.040 -0.087 -3.084 1.00 0.00 C ATOM 7 SD MET A 100 1.098 1.192 -3.939 1.00 0.00 S ATOM 8 CE MET A 100 1.413 2.605 -2.885 1.00 0.00 C ATOM 0 HA MET A 100 1.222 -2.162 -1.602 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.835 0.385 -1.380 1.00 0.00 H new ATOM 0 HB3 MET A 100 2.560 0.515 -1.098 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.103 0.062 -3.274 1.00 0.00 H new ATOM 0 HG3 MET A 100 1.776 -1.062 -3.493 1.00 0.00 H new ATOM 0 HE1 MET A 100 1.300 3.522 -3.463 1.00 0.00 H new ATOM 0 HE2 MET A 100 0.703 2.608 -2.058 1.00 0.00 H new ATOM 0 HE3 MET A 100 2.428 2.546 -2.492 1.00 0.00 H new ATOM 18 N LEU A 101 3.715 -2.577 -1.983 1.00 0.00 N ATOM 19 CA LEU A 101 5.068 -3.119 -2.033 1.00 0.00 C ATOM 20 C LEU A 101 6.105 -2.001 -1.989 1.00 0.00 C ATOM 21 O LEU A 101 6.077 -1.081 -2.807 1.00 0.00 O ATOM 22 CB LEU A 101 5.257 -3.956 -3.300 1.00 0.00 C ATOM 23 CG LEU A 101 6.194 -5.158 -3.177 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.728 -5.561 -4.543 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.340 -4.846 -2.225 1.00 0.00 C ATOM 0 H LEU A 101 3.191 -2.669 -2.853 1.00 0.00 H new ATOM 0 HA LEU A 101 5.210 -3.756 -1.160 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.280 -4.314 -3.624 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.635 -3.305 -4.088 1.00 0.00 H new ATOM 0 HG LEU A 101 5.628 -5.995 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.393 -6.418 -4.435 1.00 0.00 H new ATOM 0 HD12 LEU A 101 5.896 -5.827 -5.195 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.278 -4.727 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.997 -5.713 -2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.905 -3.994 -2.603 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.940 -4.607 -1.240 1.00 0.00 H new ATOM 37 N LYS A 102 7.020 -2.088 -1.030 1.00 0.00 N ATOM 38 CA LYS A 102 8.069 -1.086 -0.880 1.00 0.00 C ATOM 39 C LYS A 102 9.427 -1.747 -0.668 1.00 0.00 C ATOM 40 O LYS A 102 9.584 -2.601 0.205 1.00 0.00 O ATOM 41 CB LYS A 102 7.753 -0.159 0.296 1.00 0.00 C ATOM 42 CG LYS A 102 6.571 0.761 0.044 1.00 0.00 C ATOM 43 CD LYS A 102 5.477 0.560 1.080 1.00 0.00 C ATOM 44 CE LYS A 102 5.829 1.227 2.400 1.00 0.00 C ATOM 45 NZ LYS A 102 5.135 2.534 2.563 1.00 0.00 N ATOM 0 H LYS A 102 7.057 -2.842 -0.344 1.00 0.00 H new ATOM 0 HA LYS A 102 8.109 -0.499 -1.798 1.00 0.00 H new ATOM 0 HB2 LYS A 102 7.550 -0.763 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 102 8.632 0.445 0.518 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.905 1.798 0.063 1.00 0.00 H new ATOM 0 HG3 LYS A 102 6.169 0.574 -0.952 1.00 0.00 H new ATOM 0 HD2 LYS A 102 4.539 0.968 0.704 1.00 0.00 H new ATOM 0 HD3 LYS A 102 5.319 -0.506 1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.558 0.567 3.224 1.00 0.00 H new ATOM 0 HE3 LYS A 102 6.907 1.379 2.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 5.401 2.957 3.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 5.413 3.173 1.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 4.106 2.386 2.537 1.00 0.00 H new ATOM 59 N CYS A 103 10.407 -1.347 -1.472 1.00 0.00 N ATOM 60 CA CYS A 103 11.752 -1.900 -1.372 1.00 0.00 C ATOM 61 C CYS A 103 12.799 -0.791 -1.402 1.00 0.00 C ATOM 62 O CYS A 103 12.501 0.350 -1.756 1.00 0.00 O ATOM 63 CB CYS A 103 12.006 -2.887 -2.514 1.00 0.00 C ATOM 64 SG CYS A 103 11.515 -4.601 -2.138 1.00 0.00 S ATOM 0 H CYS A 103 10.294 -0.642 -2.200 1.00 0.00 H new ATOM 0 HA CYS A 103 11.832 -2.426 -0.421 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.464 -2.551 -3.398 1.00 0.00 H new ATOM 0 HB3 CYS A 103 13.067 -2.871 -2.765 1.00 0.00 H new ATOM 69 N TYR A 104 14.027 -1.134 -1.028 1.00 0.00 N ATOM 70 CA TYR A 104 15.118 -0.167 -1.009 1.00 0.00 C ATOM 71 C TYR A 104 15.621 0.115 -2.422 1.00 0.00 C ATOM 72 O TYR A 104 16.185 -0.760 -3.080 1.00 0.00 O ATOM 73 CB TYR A 104 16.268 -0.681 -0.140 1.00 0.00 C ATOM 74 CG TYR A 104 15.983 -0.614 1.343 1.00 0.00 C ATOM 75 CD1 TYR A 104 15.934 0.606 2.006 1.00 0.00 C ATOM 76 CD2 TYR A 104 15.763 -1.770 2.082 1.00 0.00 C ATOM 77 CE1 TYR A 104 15.675 0.673 3.361 1.00 0.00 C ATOM 78 CE2 TYR A 104 15.502 -1.712 3.437 1.00 0.00 C ATOM 79 CZ TYR A 104 15.459 -0.489 4.072 1.00 0.00 C ATOM 80 OH TYR A 104 15.200 -0.427 5.422 1.00 0.00 O ATOM 0 H TYR A 104 14.292 -2.074 -0.734 1.00 0.00 H new ATOM 0 HA TYR A 104 14.738 0.763 -0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 104 16.485 -1.714 -0.413 1.00 0.00 H new ATOM 0 HB3 TYR A 104 17.164 -0.099 -0.356 1.00 0.00 H new ATOM 0 HD1 TYR A 104 16.101 1.518 1.452 1.00 0.00 H new ATOM 0 HD2 TYR A 104 15.797 -2.730 1.588 1.00 0.00 H new ATOM 0 HE1 TYR A 104 15.642 1.630 3.861 1.00 0.00 H new ATOM 0 HE2 TYR A 104 15.332 -2.620 3.996 1.00 0.00 H new ATOM 0 HH TYR A 104 15.070 -1.333 5.772 1.00 0.00 H new ATOM 90 N THR A 105 15.411 1.344 -2.883 1.00 0.00 N ATOM 91 CA THR A 105 15.841 1.744 -4.217 1.00 0.00 C ATOM 92 C THR A 105 16.308 3.195 -4.232 1.00 0.00 C ATOM 93 O THR A 105 15.588 4.094 -3.797 1.00 0.00 O ATOM 94 CB THR A 105 14.709 1.570 -5.247 1.00 0.00 C ATOM 95 OG1 THR A 105 13.797 2.671 -5.164 1.00 0.00 O ATOM 96 CG2 THR A 105 13.961 0.266 -5.014 1.00 0.00 C ATOM 0 H THR A 105 14.945 2.080 -2.352 1.00 0.00 H new ATOM 0 HA THR A 105 16.673 1.095 -4.489 1.00 0.00 H new ATOM 0 HB THR A 105 15.154 1.542 -6.242 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.283 2.733 -5.996 1.00 0.00 H new ATOM 0 HG21 THR A 105 13.166 0.165 -5.753 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.652 -0.572 -5.108 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.528 0.269 -4.014 1.00 0.00 H new ATOM 104 N CYS A 106 17.518 3.417 -4.736 1.00 0.00 N ATOM 105 CA CYS A 106 18.082 4.759 -4.809 1.00 0.00 C ATOM 106 C CYS A 106 17.579 5.494 -6.048 1.00 0.00 C ATOM 107 O CYS A 106 16.758 4.972 -6.803 1.00 0.00 O ATOM 108 CB CYS A 106 19.610 4.692 -4.826 1.00 0.00 C ATOM 109 SG CYS A 106 20.287 3.452 -5.976 1.00 0.00 S ATOM 0 H CYS A 106 18.127 2.684 -5.100 1.00 0.00 H new ATOM 0 HA CYS A 106 17.759 5.311 -3.926 1.00 0.00 H new ATOM 0 HB2 CYS A 106 20.003 5.673 -5.094 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.965 4.470 -3.819 1.00 0.00 H new ATOM 0 HG CYS A 106 21.586 3.472 -5.921 1.00 0.00 H new ATOM 262 N THR A 117 17.776 3.440 0.220 1.00 0.00 N ATOM 263 CA THR A 117 16.656 4.293 0.598 1.00 0.00 C ATOM 264 C THR A 117 15.324 3.607 0.315 1.00 0.00 C ATOM 265 O THR A 117 15.152 2.968 -0.723 1.00 0.00 O ATOM 266 CB THR A 117 16.697 5.638 -0.151 1.00 0.00 C ATOM 267 OG1 THR A 117 18.052 6.079 -0.292 1.00 0.00 O ATOM 268 CG2 THR A 117 15.889 6.694 0.588 1.00 0.00 C ATOM 0 HA THR A 117 16.746 4.479 1.668 1.00 0.00 H new ATOM 0 HB THR A 117 16.258 5.492 -1.138 1.00 0.00 H new ATOM 0 HG1 THR A 117 18.638 5.303 -0.412 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.933 7.635 0.040 1.00 0.00 H new ATOM 0 HG22 THR A 117 14.852 6.369 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 117 16.303 6.836 1.586 1.00 0.00 H new ATOM 276 N ILE A 118 14.384 3.746 1.244 1.00 0.00 N ATOM 277 CA ILE A 118 13.066 3.141 1.093 1.00 0.00 C ATOM 278 C ILE A 118 12.284 3.803 -0.036 1.00 0.00 C ATOM 279 O ILE A 118 12.211 5.029 -0.121 1.00 0.00 O ATOM 280 CB ILE A 118 12.249 3.239 2.395 1.00 0.00 C ATOM 281 CG1 ILE A 118 13.008 2.582 3.549 1.00 0.00 C ATOM 282 CG2 ILE A 118 10.885 2.590 2.214 1.00 0.00 C ATOM 283 CD1 ILE A 118 12.319 2.729 4.888 1.00 0.00 C ATOM 0 H ILE A 118 14.510 4.272 2.109 1.00 0.00 H new ATOM 0 HA ILE A 118 13.227 2.090 0.853 1.00 0.00 H new ATOM 0 HB ILE A 118 12.100 4.292 2.635 1.00 0.00 H new ATOM 0 HG12 ILE A 118 13.138 1.522 3.331 1.00 0.00 H new ATOM 0 HG13 ILE A 118 14.005 3.019 3.613 1.00 0.00 H new ATOM 0 HG21 ILE A 118 10.319 2.667 3.142 1.00 0.00 H new ATOM 0 HG22 ILE A 118 10.343 3.098 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 118 11.014 1.539 1.954 1.00 0.00 H new ATOM 0 HD11 ILE A 118 12.914 2.239 5.659 1.00 0.00 H new ATOM 0 HD12 ILE A 118 12.213 3.787 5.129 1.00 0.00 H new ATOM 0 HD13 ILE A 118 11.333 2.267 4.842 1.00 0.00 H new ATOM 295 N THR A 119 11.697 2.983 -0.902 1.00 0.00 N ATOM 296 CA THR A 119 10.918 3.488 -2.026 1.00 0.00 C ATOM 297 C THR A 119 9.653 2.662 -2.234 1.00 0.00 C ATOM 298 O THR A 119 9.654 1.447 -2.035 1.00 0.00 O ATOM 299 CB THR A 119 11.742 3.481 -3.328 1.00 0.00 C ATOM 300 OG1 THR A 119 12.822 4.416 -3.229 1.00 0.00 O ATOM 301 CG2 THR A 119 10.868 3.832 -4.523 1.00 0.00 C ATOM 0 H THR A 119 11.746 1.966 -0.846 1.00 0.00 H new ATOM 0 HA THR A 119 10.642 4.514 -1.784 1.00 0.00 H new ATOM 0 HB THR A 119 12.143 2.478 -3.473 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.586 4.090 -3.749 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.471 3.821 -5.431 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.064 3.102 -4.613 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.442 4.825 -4.383 1.00 0.00 H new ATOM 309 N ARG A 120 8.577 3.329 -2.636 1.00 0.00 N ATOM 310 CA ARG A 120 7.304 2.657 -2.870 1.00 0.00 C ATOM 311 C ARG A 120 7.200 2.180 -4.316 1.00 0.00 C ATOM 312 O ARG A 120 7.317 2.971 -5.252 1.00 0.00 O ATOM 313 CB ARG A 120 6.140 3.595 -2.546 1.00 0.00 C ATOM 314 CG ARG A 120 6.396 4.491 -1.345 1.00 0.00 C ATOM 315 CD ARG A 120 6.798 5.894 -1.774 1.00 0.00 C ATOM 316 NE ARG A 120 6.410 6.899 -0.788 1.00 0.00 N ATOM 317 CZ ARG A 120 6.394 8.204 -1.036 1.00 0.00 C ATOM 318 NH1 ARG A 120 6.741 8.659 -2.233 1.00 0.00 N ATOM 319 NH2 ARG A 120 6.029 9.057 -0.087 1.00 0.00 N ATOM 0 H ARG A 120 8.561 4.334 -2.807 1.00 0.00 H new ATOM 0 HA ARG A 120 7.254 1.788 -2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.934 4.218 -3.416 1.00 0.00 H new ATOM 0 HB3 ARG A 120 5.246 3.000 -2.361 1.00 0.00 H new ATOM 0 HG2 ARG A 120 5.498 4.541 -0.729 1.00 0.00 H new ATOM 0 HG3 ARG A 120 7.183 4.058 -0.728 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.877 5.932 -1.925 1.00 0.00 H new ATOM 0 HD3 ARG A 120 6.333 6.127 -2.732 1.00 0.00 H new ATOM 0 HE ARG A 120 6.136 6.582 0.142 1.00 0.00 H new ATOM 0 HH11 ARG A 120 7.021 8.006 -2.965 1.00 0.00 H new ATOM 0 HH12 ARG A 120 6.728 9.661 -2.421 1.00 0.00 H new ATOM 0 HH21 ARG A 120 5.760 8.711 0.834 1.00 0.00 H new ATOM 0 HH22 ARG A 120 6.017 10.059 -0.279 1.00 0.00 H new ATOM 333 N CYS A 121 6.979 0.881 -4.490 1.00 0.00 N ATOM 334 CA CYS A 121 6.859 0.297 -5.821 1.00 0.00 C ATOM 335 C CYS A 121 5.527 0.674 -6.462 1.00 0.00 C ATOM 336 O CYS A 121 4.687 1.325 -5.840 1.00 0.00 O ATOM 337 CB CYS A 121 6.989 -1.225 -5.746 1.00 0.00 C ATOM 338 SG CYS A 121 8.610 -1.805 -5.150 1.00 0.00 S ATOM 0 H CYS A 121 6.879 0.213 -3.726 1.00 0.00 H new ATOM 0 HA CYS A 121 7.665 0.694 -6.439 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.212 -1.613 -5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 121 6.807 -1.644 -6.736 1.00 0.00 H new ATOM 343 N LYS A 122 5.341 0.261 -7.711 1.00 0.00 N ATOM 344 CA LYS A 122 4.111 0.553 -8.439 1.00 0.00 C ATOM 345 C LYS A 122 3.050 -0.507 -8.160 1.00 0.00 C ATOM 346 O LYS A 122 3.346 -1.613 -7.707 1.00 0.00 O ATOM 347 CB LYS A 122 4.389 0.629 -9.942 1.00 0.00 C ATOM 348 CG LYS A 122 5.798 1.085 -10.277 1.00 0.00 C ATOM 349 CD LYS A 122 5.871 1.695 -11.667 1.00 0.00 C ATOM 350 CE LYS A 122 7.310 1.936 -12.096 1.00 0.00 C ATOM 351 NZ LYS A 122 7.518 3.327 -12.584 1.00 0.00 N ATOM 0 H LYS A 122 6.027 -0.277 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 122 3.735 1.517 -8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.219 -0.352 -10.385 1.00 0.00 H new ATOM 0 HB3 LYS A 122 3.676 1.314 -10.401 1.00 0.00 H new ATOM 0 HG2 LYS A 122 6.130 1.816 -9.540 1.00 0.00 H new ATOM 0 HG3 LYS A 122 6.480 0.237 -10.214 1.00 0.00 H new ATOM 0 HD2 LYS A 122 5.383 1.032 -12.382 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.324 2.637 -11.681 1.00 0.00 H new ATOM 0 HE2 LYS A 122 7.977 1.743 -11.256 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.577 1.231 -12.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 8.511 3.451 -12.867 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 6.901 3.504 -13.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 7.288 3.999 -11.825 1.00 0.00 H new ATOM 365 N PRO A 123 1.783 -0.165 -8.438 1.00 0.00 N ATOM 366 CA PRO A 123 0.653 -1.074 -8.227 1.00 0.00 C ATOM 367 C PRO A 123 0.657 -2.241 -9.208 1.00 0.00 C ATOM 368 O PRO A 123 0.185 -3.332 -8.890 1.00 0.00 O ATOM 369 CB PRO A 123 -0.569 -0.182 -8.462 1.00 0.00 C ATOM 370 CG PRO A 123 -0.079 0.902 -9.359 1.00 0.00 C ATOM 371 CD PRO A 123 1.357 1.136 -8.981 1.00 0.00 C ATOM 0 HA PRO A 123 0.679 -1.533 -7.239 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -1.384 -0.740 -8.924 1.00 0.00 H new ATOM 0 HB3 PRO A 123 -0.951 0.222 -7.524 1.00 0.00 H new ATOM 0 HG2 PRO A 123 -0.164 0.610 -10.406 1.00 0.00 H new ATOM 0 HG3 PRO A 123 -0.669 1.810 -9.232 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.957 1.428 -9.843 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.454 1.931 -8.242 1.00 0.00 H new ATOM 379 N GLU A 124 1.192 -2.004 -10.402 1.00 0.00 N ATOM 380 CA GLU A 124 1.256 -3.037 -11.429 1.00 0.00 C ATOM 381 C GLU A 124 2.335 -4.064 -11.100 1.00 0.00 C ATOM 382 O GLU A 124 2.281 -5.206 -11.559 1.00 0.00 O ATOM 383 CB GLU A 124 1.533 -2.410 -12.797 1.00 0.00 C ATOM 384 CG GLU A 124 2.732 -1.476 -12.808 1.00 0.00 C ATOM 385 CD GLU A 124 2.370 -0.068 -13.237 1.00 0.00 C ATOM 386 OE1 GLU A 124 1.966 0.733 -12.369 1.00 0.00 O ATOM 387 OE2 GLU A 124 2.492 0.233 -14.443 1.00 0.00 O ATOM 0 H GLU A 124 1.587 -1.106 -10.682 1.00 0.00 H new ATOM 0 HA GLU A 124 0.292 -3.545 -11.459 1.00 0.00 H new ATOM 0 HB2 GLU A 124 1.696 -3.205 -13.525 1.00 0.00 H new ATOM 0 HB3 GLU A 124 0.650 -1.858 -13.120 1.00 0.00 H new ATOM 0 HG2 GLU A 124 3.174 -1.446 -11.812 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.491 -1.873 -13.482 1.00 0.00 H new ATOM 394 N ASP A 125 3.315 -3.651 -10.304 1.00 0.00 N ATOM 395 CA ASP A 125 4.407 -4.534 -9.913 1.00 0.00 C ATOM 396 C ASP A 125 3.911 -5.629 -8.974 1.00 0.00 C ATOM 397 O ASP A 125 2.720 -5.711 -8.672 1.00 0.00 O ATOM 398 CB ASP A 125 5.523 -3.734 -9.240 1.00 0.00 C ATOM 399 CG ASP A 125 6.548 -3.221 -10.232 1.00 0.00 C ATOM 400 OD1 ASP A 125 6.530 -3.679 -11.394 1.00 0.00 O ATOM 401 OD2 ASP A 125 7.367 -2.361 -9.847 1.00 0.00 O ATOM 0 H ASP A 125 3.375 -2.709 -9.917 1.00 0.00 H new ATOM 0 HA ASP A 125 4.801 -5.004 -10.814 1.00 0.00 H new ATOM 0 HB2 ASP A 125 5.088 -2.891 -8.703 1.00 0.00 H new ATOM 0 HB3 ASP A 125 6.020 -4.361 -8.500 1.00 0.00 H new ATOM 406 N THR A 126 4.832 -6.470 -8.514 1.00 0.00 N ATOM 407 CA THR A 126 4.489 -7.561 -7.611 1.00 0.00 C ATOM 408 C THR A 126 5.662 -7.914 -6.704 1.00 0.00 C ATOM 409 O THR A 126 5.478 -8.211 -5.523 1.00 0.00 O ATOM 410 CB THR A 126 4.059 -8.820 -8.388 1.00 0.00 C ATOM 411 OG1 THR A 126 5.096 -9.214 -9.293 1.00 0.00 O ATOM 412 CG2 THR A 126 2.774 -8.566 -9.162 1.00 0.00 C ATOM 0 H THR A 126 5.822 -6.416 -8.753 1.00 0.00 H new ATOM 0 HA THR A 126 3.653 -7.216 -7.002 1.00 0.00 H new ATOM 0 HB THR A 126 3.880 -9.620 -7.670 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.816 -10.016 -9.782 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.490 -9.469 -9.703 1.00 0.00 H new ATOM 0 HG22 THR A 126 1.979 -8.294 -8.468 1.00 0.00 H new ATOM 0 HG23 THR A 126 2.931 -7.753 -9.871 1.00 0.00 H new ATOM 420 N ALA A 127 6.867 -7.879 -7.262 1.00 0.00 N ATOM 421 CA ALA A 127 8.071 -8.193 -6.502 1.00 0.00 C ATOM 422 C ALA A 127 9.145 -7.131 -6.712 1.00 0.00 C ATOM 423 O ALA A 127 8.949 -6.175 -7.463 1.00 0.00 O ATOM 424 CB ALA A 127 8.598 -9.565 -6.891 1.00 0.00 C ATOM 0 H ALA A 127 7.036 -7.636 -8.238 1.00 0.00 H new ATOM 0 HA ALA A 127 7.811 -8.204 -5.444 1.00 0.00 H new ATOM 0 HB1 ALA A 127 9.497 -9.786 -6.316 1.00 0.00 H new ATOM 0 HB2 ALA A 127 7.839 -10.319 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.836 -9.575 -7.955 1.00 0.00 H new ATOM 430 N CYS A 128 10.281 -7.305 -6.045 1.00 0.00 N ATOM 431 CA CYS A 128 11.387 -6.363 -6.158 1.00 0.00 C ATOM 432 C CYS A 128 12.578 -7.004 -6.863 1.00 0.00 C ATOM 433 O CYS A 128 12.658 -8.226 -6.982 1.00 0.00 O ATOM 434 CB CYS A 128 11.807 -5.868 -4.772 1.00 0.00 C ATOM 435 SG CYS A 128 10.437 -5.197 -3.776 1.00 0.00 S ATOM 0 H CYS A 128 10.459 -8.091 -5.420 1.00 0.00 H new ATOM 0 HA CYS A 128 11.049 -5.514 -6.753 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.268 -6.692 -4.228 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.569 -5.097 -4.889 1.00 0.00 H new ATOM 440 N MET A 129 13.502 -6.169 -7.330 1.00 0.00 N ATOM 441 CA MET A 129 14.690 -6.655 -8.022 1.00 0.00 C ATOM 442 C MET A 129 15.946 -5.972 -7.490 1.00 0.00 C ATOM 443 O MET A 129 15.905 -4.818 -7.062 1.00 0.00 O ATOM 444 CB MET A 129 14.563 -6.414 -9.528 1.00 0.00 C ATOM 445 CG MET A 129 15.066 -7.572 -10.373 1.00 0.00 C ATOM 446 SD MET A 129 15.282 -7.125 -12.107 1.00 0.00 S ATOM 447 CE MET A 129 13.993 -8.105 -12.873 1.00 0.00 C ATOM 0 H MET A 129 13.450 -5.154 -7.242 1.00 0.00 H new ATOM 0 HA MET A 129 14.775 -7.726 -7.839 1.00 0.00 H new ATOM 0 HB2 MET A 129 13.517 -6.225 -9.771 1.00 0.00 H new ATOM 0 HB3 MET A 129 15.119 -5.514 -9.792 1.00 0.00 H new ATOM 0 HG2 MET A 129 16.016 -7.924 -9.971 1.00 0.00 H new ATOM 0 HG3 MET A 129 14.363 -8.402 -10.301 1.00 0.00 H new ATOM 0 HE1 MET A 129 13.999 -7.936 -13.950 1.00 0.00 H new ATOM 0 HE2 MET A 129 14.170 -9.161 -12.670 1.00 0.00 H new ATOM 0 HE3 MET A 129 13.025 -7.815 -12.466 1.00 0.00 H new ATOM 457 N THR A 130 17.063 -6.692 -7.520 1.00 0.00 N ATOM 458 CA THR A 130 18.331 -6.157 -7.040 1.00 0.00 C ATOM 459 C THR A 130 19.473 -6.516 -7.984 1.00 0.00 C ATOM 460 O THR A 130 19.373 -7.465 -8.763 1.00 0.00 O ATOM 461 CB THR A 130 18.662 -6.678 -5.629 1.00 0.00 C ATOM 462 OG1 THR A 130 17.467 -6.768 -4.846 1.00 0.00 O ATOM 463 CG2 THR A 130 19.661 -5.765 -4.935 1.00 0.00 C ATOM 0 H THR A 130 17.115 -7.648 -7.872 1.00 0.00 H new ATOM 0 HA THR A 130 18.223 -5.073 -7.003 1.00 0.00 H new ATOM 0 HB THR A 130 19.106 -7.668 -5.728 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.006 -7.609 -5.048 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.879 -6.154 -3.940 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.581 -5.723 -5.518 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.240 -4.763 -4.849 1.00 0.00 H new ATOM 471 N THR A 131 20.559 -5.753 -7.909 1.00 0.00 N ATOM 472 CA THR A 131 21.720 -5.991 -8.757 1.00 0.00 C ATOM 473 C THR A 131 23.017 -5.786 -7.983 1.00 0.00 C ATOM 474 O THR A 131 23.496 -4.660 -7.842 1.00 0.00 O ATOM 475 CB THR A 131 21.717 -5.065 -9.987 1.00 0.00 C ATOM 476 OG1 THR A 131 20.371 -4.744 -10.356 1.00 0.00 O ATOM 477 CG2 THR A 131 22.426 -5.722 -11.161 1.00 0.00 C ATOM 0 H THR A 131 20.658 -4.965 -7.269 1.00 0.00 H new ATOM 0 HA THR A 131 21.660 -7.027 -9.092 1.00 0.00 H new ATOM 0 HB THR A 131 22.250 -4.151 -9.726 1.00 0.00 H new ATOM 0 HG1 THR A 131 19.919 -4.312 -9.601 1.00 0.00 H new ATOM 0 HG21 THR A 131 22.411 -5.049 -12.018 1.00 0.00 H new ATOM 0 HG22 THR A 131 23.459 -5.938 -10.888 1.00 0.00 H new ATOM 0 HG23 THR A 131 21.917 -6.650 -11.420 1.00 0.00 H new ATOM 733 N THR A 148 22.420 -1.702 -8.433 1.00 0.00 N ATOM 734 CA THR A 148 21.147 -1.040 -8.693 1.00 0.00 C ATOM 735 C THR A 148 19.978 -1.880 -8.191 1.00 0.00 C ATOM 736 O THR A 148 19.970 -3.102 -8.342 1.00 0.00 O ATOM 737 CB THR A 148 20.956 -0.760 -10.195 1.00 0.00 C ATOM 738 OG1 THR A 148 20.578 -1.962 -10.874 1.00 0.00 O ATOM 739 CG2 THR A 148 22.233 -0.205 -10.809 1.00 0.00 C ATOM 0 HA THR A 148 21.168 -0.093 -8.154 1.00 0.00 H new ATOM 0 HB THR A 148 20.166 -0.017 -10.305 1.00 0.00 H new ATOM 0 HG1 THR A 148 20.656 -2.723 -10.261 1.00 0.00 H new ATOM 0 HG21 THR A 148 22.074 -0.015 -11.870 1.00 0.00 H new ATOM 0 HG22 THR A 148 22.502 0.726 -10.310 1.00 0.00 H new ATOM 0 HG23 THR A 148 23.040 -0.928 -10.687 1.00 0.00 H new ATOM 747 N ARG A 149 18.992 -1.217 -7.596 1.00 0.00 N ATOM 748 CA ARG A 149 17.818 -1.904 -7.072 1.00 0.00 C ATOM 749 C ARG A 149 16.535 -1.239 -7.563 1.00 0.00 C ATOM 750 O ARG A 149 16.338 -0.038 -7.383 1.00 0.00 O ATOM 751 CB ARG A 149 17.847 -1.913 -5.542 1.00 0.00 C ATOM 752 CG ARG A 149 17.207 -3.148 -4.928 1.00 0.00 C ATOM 753 CD ARG A 149 17.731 -3.407 -3.524 1.00 0.00 C ATOM 754 NE ARG A 149 17.385 -4.744 -3.049 1.00 0.00 N ATOM 755 CZ ARG A 149 16.148 -5.117 -2.740 1.00 0.00 C ATOM 756 NH1 ARG A 149 15.145 -4.258 -2.857 1.00 0.00 N ATOM 757 NH2 ARG A 149 15.913 -6.351 -2.315 1.00 0.00 N ATOM 0 H ARG A 149 18.983 -0.206 -7.465 1.00 0.00 H new ATOM 0 HA ARG A 149 17.837 -2.932 -7.435 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.882 -1.845 -5.206 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.333 -1.026 -5.172 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.125 -3.021 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.408 -4.015 -5.558 1.00 0.00 H new ATOM 0 HD2 ARG A 149 18.814 -3.288 -3.514 1.00 0.00 H new ATOM 0 HD3 ARG A 149 17.322 -2.662 -2.841 1.00 0.00 H new ATOM 0 HE ARG A 149 18.134 -5.429 -2.949 1.00 0.00 H new ATOM 0 HH11 ARG A 149 15.322 -3.309 -3.185 1.00 0.00 H new ATOM 0 HH12 ARG A 149 14.196 -4.547 -2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 149 16.682 -7.015 -2.225 1.00 0.00 H new ATOM 0 HH22 ARG A 149 14.963 -6.636 -2.078 1.00 0.00 H new ATOM 771 N SER A 150 15.666 -2.030 -8.184 1.00 0.00 N ATOM 772 CA SER A 150 14.404 -1.518 -8.706 1.00 0.00 C ATOM 773 C SER A 150 13.302 -2.566 -8.587 1.00 0.00 C ATOM 774 O SER A 150 13.571 -3.767 -8.561 1.00 0.00 O ATOM 775 CB SER A 150 14.566 -1.095 -10.167 1.00 0.00 C ATOM 776 OG SER A 150 15.432 -1.976 -10.860 1.00 0.00 O ATOM 0 H SER A 150 15.812 -3.028 -8.338 1.00 0.00 H new ATOM 0 HA SER A 150 14.120 -0.649 -8.113 1.00 0.00 H new ATOM 0 HB2 SER A 150 13.591 -1.080 -10.655 1.00 0.00 H new ATOM 0 HB3 SER A 150 14.961 -0.080 -10.213 1.00 0.00 H new ATOM 0 HG SER A 150 15.518 -1.685 -11.792 1.00 0.00 H new ATOM 782 N CYS A 151 12.059 -2.102 -8.515 1.00 0.00 N ATOM 783 CA CYS A 151 10.914 -2.997 -8.399 1.00 0.00 C ATOM 784 C CYS A 151 10.716 -3.797 -9.683 1.00 0.00 C ATOM 785 O CYS A 151 11.299 -3.481 -10.720 1.00 0.00 O ATOM 786 CB CYS A 151 9.647 -2.200 -8.081 1.00 0.00 C ATOM 787 SG CYS A 151 9.827 -1.043 -6.686 1.00 0.00 S ATOM 0 H CYS A 151 11.819 -1.111 -8.535 1.00 0.00 H new ATOM 0 HA CYS A 151 11.111 -3.694 -7.584 1.00 0.00 H new ATOM 0 HB2 CYS A 151 9.351 -1.640 -8.968 1.00 0.00 H new ATOM 0 HB3 CYS A 151 8.838 -2.897 -7.859 1.00 0.00 H new ATOM 792 N SER A 152 9.888 -4.835 -9.606 1.00 0.00 N ATOM 793 CA SER A 152 9.615 -5.682 -10.760 1.00 0.00 C ATOM 794 C SER A 152 8.211 -6.274 -10.681 1.00 0.00 C ATOM 795 O SER A 152 7.547 -6.186 -9.648 1.00 0.00 O ATOM 796 CB SER A 152 10.650 -6.806 -10.851 1.00 0.00 C ATOM 797 OG SER A 152 10.441 -7.600 -12.005 1.00 0.00 O ATOM 0 H SER A 152 9.395 -5.109 -8.756 1.00 0.00 H new ATOM 0 HA SER A 152 9.680 -5.064 -11.656 1.00 0.00 H new ATOM 0 HB2 SER A 152 11.653 -6.380 -10.876 1.00 0.00 H new ATOM 0 HB3 SER A 152 10.591 -7.431 -9.960 1.00 0.00 H new ATOM 0 HG SER A 152 10.882 -8.468 -11.889 1.00 0.00 H new ATOM 803 N SER A 153 7.766 -6.876 -11.779 1.00 0.00 N ATOM 804 CA SER A 153 6.440 -7.479 -11.836 1.00 0.00 C ATOM 805 C SER A 153 6.537 -8.984 -12.070 1.00 0.00 C ATOM 806 O SER A 153 5.530 -9.653 -12.305 1.00 0.00 O ATOM 807 CB SER A 153 5.609 -6.831 -12.945 1.00 0.00 C ATOM 808 OG SER A 153 6.365 -6.698 -14.136 1.00 0.00 O ATOM 0 H SER A 153 8.304 -6.959 -12.641 1.00 0.00 H new ATOM 0 HA SER A 153 5.949 -7.309 -10.878 1.00 0.00 H new ATOM 0 HB2 SER A 153 4.722 -7.434 -13.139 1.00 0.00 H new ATOM 0 HB3 SER A 153 5.263 -5.850 -12.619 1.00 0.00 H new ATOM 0 HG SER A 153 5.812 -6.283 -14.830 1.00 0.00 H new ATOM 814 N SER A 154 7.756 -9.509 -12.005 1.00 0.00 N ATOM 815 CA SER A 154 7.986 -10.934 -12.214 1.00 0.00 C ATOM 816 C SER A 154 9.403 -11.321 -11.801 1.00 0.00 C ATOM 817 O SER A 154 10.341 -11.229 -12.594 1.00 0.00 O ATOM 818 CB SER A 154 7.752 -11.300 -13.681 1.00 0.00 C ATOM 819 OG SER A 154 8.247 -10.291 -14.544 1.00 0.00 O ATOM 0 H SER A 154 8.599 -8.970 -11.809 1.00 0.00 H new ATOM 0 HA SER A 154 7.281 -11.486 -11.593 1.00 0.00 H new ATOM 0 HB2 SER A 154 8.242 -12.247 -13.905 1.00 0.00 H new ATOM 0 HB3 SER A 154 6.686 -11.443 -13.858 1.00 0.00 H new ATOM 0 HG SER A 154 9.173 -10.080 -14.303 1.00 0.00 H new ATOM 825 N CYS A 155 9.551 -11.756 -10.554 1.00 0.00 N ATOM 826 CA CYS A 155 10.852 -12.157 -10.034 1.00 0.00 C ATOM 827 C CYS A 155 11.345 -13.427 -10.722 1.00 0.00 C ATOM 828 O CYS A 155 10.750 -14.495 -10.579 1.00 0.00 O ATOM 829 CB CYS A 155 10.773 -12.381 -8.522 1.00 0.00 C ATOM 830 SG CYS A 155 12.096 -13.442 -7.857 1.00 0.00 S ATOM 0 H CYS A 155 8.786 -11.840 -9.885 1.00 0.00 H new ATOM 0 HA CYS A 155 11.561 -11.355 -10.240 1.00 0.00 H new ATOM 0 HB2 CYS A 155 10.810 -11.414 -8.020 1.00 0.00 H new ATOM 0 HB3 CYS A 155 9.808 -12.828 -8.282 1.00 0.00 H new ATOM 835 N VAL A 156 12.438 -13.302 -11.468 1.00 0.00 N ATOM 836 CA VAL A 156 13.013 -14.439 -12.178 1.00 0.00 C ATOM 837 C VAL A 156 14.525 -14.296 -12.311 1.00 0.00 C ATOM 838 O VAL A 156 15.020 -13.300 -12.837 1.00 0.00 O ATOM 839 CB VAL A 156 12.397 -14.595 -13.581 1.00 0.00 C ATOM 840 CG1 VAL A 156 10.935 -15.000 -13.481 1.00 0.00 C ATOM 841 CG2 VAL A 156 12.549 -13.306 -14.375 1.00 0.00 C ATOM 0 H VAL A 156 12.943 -12.425 -11.596 1.00 0.00 H new ATOM 0 HA VAL A 156 12.786 -15.328 -11.589 1.00 0.00 H new ATOM 0 HB VAL A 156 12.932 -15.385 -14.108 1.00 0.00 H new ATOM 0 HG11 VAL A 156 10.517 -15.105 -14.482 1.00 0.00 H new ATOM 0 HG12 VAL A 156 10.856 -15.950 -12.953 1.00 0.00 H new ATOM 0 HG13 VAL A 156 10.382 -14.235 -12.936 1.00 0.00 H new ATOM 0 HG21 VAL A 156 12.108 -13.434 -15.364 1.00 0.00 H new ATOM 0 HG22 VAL A 156 12.041 -12.495 -13.853 1.00 0.00 H new ATOM 0 HG23 VAL A 156 13.607 -13.064 -14.478 1.00 0.00 H new ATOM 987 N LEU A 168 24.722 -10.679 -9.931 1.00 0.00 N ATOM 988 CA LEU A 168 23.722 -11.529 -9.294 1.00 0.00 C ATOM 989 C LEU A 168 22.425 -10.760 -9.060 1.00 0.00 C ATOM 990 O LEU A 168 22.418 -9.721 -8.400 1.00 0.00 O ATOM 991 CB LEU A 168 24.254 -12.070 -7.966 1.00 0.00 C ATOM 992 CG LEU A 168 25.401 -13.077 -8.064 1.00 0.00 C ATOM 993 CD1 LEU A 168 26.626 -12.564 -7.322 1.00 0.00 C ATOM 994 CD2 LEU A 168 24.970 -14.430 -7.515 1.00 0.00 C ATOM 0 HA LEU A 168 23.513 -12.365 -9.961 1.00 0.00 H new ATOM 0 HB2 LEU A 168 24.587 -11.227 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 168 23.429 -12.540 -7.431 1.00 0.00 H new ATOM 0 HG LEU A 168 25.663 -13.200 -9.115 1.00 0.00 H new ATOM 0 HD11 LEU A 168 27.432 -13.293 -7.402 1.00 0.00 H new ATOM 0 HD12 LEU A 168 26.947 -11.619 -7.760 1.00 0.00 H new ATOM 0 HD13 LEU A 168 26.378 -12.412 -6.272 1.00 0.00 H new ATOM 0 HD21 LEU A 168 25.798 -15.135 -7.592 1.00 0.00 H new ATOM 0 HD22 LEU A 168 24.681 -14.323 -6.469 1.00 0.00 H new ATOM 0 HD23 LEU A 168 24.122 -14.802 -8.090 1.00 0.00 H new ATOM 1006 N ILE A 169 21.329 -11.280 -9.602 1.00 0.00 N ATOM 1007 CA ILE A 169 20.026 -10.645 -9.449 1.00 0.00 C ATOM 1008 C ILE A 169 19.275 -11.213 -8.249 1.00 0.00 C ATOM 1009 O ILE A 169 19.068 -12.422 -8.149 1.00 0.00 O ATOM 1010 CB ILE A 169 19.162 -10.821 -10.712 1.00 0.00 C ATOM 1011 CG1 ILE A 169 19.900 -10.286 -11.940 1.00 0.00 C ATOM 1012 CG2 ILE A 169 17.825 -10.116 -10.541 1.00 0.00 C ATOM 1013 CD1 ILE A 169 20.784 -11.315 -12.610 1.00 0.00 C ATOM 0 H ILE A 169 21.317 -12.140 -10.151 1.00 0.00 H new ATOM 0 HA ILE A 169 20.210 -9.582 -9.290 1.00 0.00 H new ATOM 0 HB ILE A 169 18.973 -11.884 -10.860 1.00 0.00 H new ATOM 0 HG12 ILE A 169 19.170 -9.921 -12.662 1.00 0.00 H new ATOM 0 HG13 ILE A 169 20.510 -9.432 -11.644 1.00 0.00 H new ATOM 0 HG21 ILE A 169 17.226 -10.249 -11.442 1.00 0.00 H new ATOM 0 HG22 ILE A 169 17.297 -10.540 -9.687 1.00 0.00 H new ATOM 0 HG23 ILE A 169 17.994 -9.053 -10.371 1.00 0.00 H new ATOM 0 HD11 ILE A 169 21.276 -10.866 -13.473 1.00 0.00 H new ATOM 0 HD12 ILE A 169 21.537 -11.663 -11.903 1.00 0.00 H new ATOM 0 HD13 ILE A 169 20.177 -12.159 -12.937 1.00 0.00 H new ATOM 1025 N PHE A 170 18.868 -10.331 -7.342 1.00 0.00 N ATOM 1026 CA PHE A 170 18.139 -10.744 -6.149 1.00 0.00 C ATOM 1027 C PHE A 170 16.748 -10.118 -6.118 1.00 0.00 C ATOM 1028 O PHE A 170 16.605 -8.896 -6.062 1.00 0.00 O ATOM 1029 CB PHE A 170 18.915 -10.352 -4.890 1.00 0.00 C ATOM 1030 CG PHE A 170 19.846 -11.425 -4.401 1.00 0.00 C ATOM 1031 CD1 PHE A 170 21.143 -11.506 -4.879 1.00 0.00 C ATOM 1032 CD2 PHE A 170 19.423 -12.352 -3.462 1.00 0.00 C ATOM 1033 CE1 PHE A 170 22.001 -12.493 -4.432 1.00 0.00 C ATOM 1034 CE2 PHE A 170 20.276 -13.341 -3.010 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.567 -13.410 -3.495 1.00 0.00 C ATOM 0 H PHE A 170 19.031 -9.326 -7.411 1.00 0.00 H new ATOM 0 HA PHE A 170 18.030 -11.828 -6.177 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.490 -9.449 -5.094 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.207 -10.108 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 170 21.488 -10.790 -5.610 1.00 0.00 H new ATOM 0 HD2 PHE A 170 18.415 -12.301 -3.079 1.00 0.00 H new ATOM 0 HE1 PHE A 170 23.009 -12.547 -4.815 1.00 0.00 H new ATOM 0 HE2 PHE A 170 19.934 -14.058 -2.279 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.237 -14.180 -3.142 1.00 0.00 H new ATOM 1045 N CYS A 171 15.724 -10.964 -6.155 1.00 0.00 N ATOM 1046 CA CYS A 171 14.343 -10.496 -6.133 1.00 0.00 C ATOM 1047 C CYS A 171 13.597 -11.061 -4.928 1.00 0.00 C ATOM 1048 O CYS A 171 13.924 -12.139 -4.431 1.00 0.00 O ATOM 1049 CB CYS A 171 13.626 -10.894 -7.424 1.00 0.00 C ATOM 1050 SG CYS A 171 13.869 -12.635 -7.902 1.00 0.00 S ATOM 0 H CYS A 171 15.825 -11.978 -6.200 1.00 0.00 H new ATOM 0 HA CYS A 171 14.355 -9.409 -6.054 1.00 0.00 H new ATOM 0 HB2 CYS A 171 12.559 -10.706 -7.307 1.00 0.00 H new ATOM 0 HB3 CYS A 171 13.976 -10.254 -8.234 1.00 0.00 H new ATOM 1055 N CYS A 172 12.592 -10.326 -4.463 1.00 0.00 N ATOM 1056 CA CYS A 172 11.798 -10.753 -3.317 1.00 0.00 C ATOM 1057 C CYS A 172 10.369 -10.228 -3.420 1.00 0.00 C ATOM 1058 O CYS A 172 10.093 -9.289 -4.166 1.00 0.00 O ATOM 1059 CB CYS A 172 12.440 -10.266 -2.017 1.00 0.00 C ATOM 1060 SG CYS A 172 13.013 -8.538 -2.072 1.00 0.00 S ATOM 0 H CYS A 172 12.308 -9.431 -4.863 1.00 0.00 H new ATOM 0 HA CYS A 172 11.766 -11.843 -3.313 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.719 -10.373 -1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 172 13.286 -10.911 -1.778 1.00 0.00 H new ATOM 1065 N PHE A 173 9.464 -10.842 -2.665 1.00 0.00 N ATOM 1066 CA PHE A 173 8.062 -10.438 -2.671 1.00 0.00 C ATOM 1067 C PHE A 173 7.642 -9.912 -1.302 1.00 0.00 C ATOM 1068 O PHE A 173 6.487 -10.053 -0.899 1.00 0.00 O ATOM 1069 CB PHE A 173 7.172 -11.615 -3.073 1.00 0.00 C ATOM 1070 CG PHE A 173 7.755 -12.461 -4.169 1.00 0.00 C ATOM 1071 CD1 PHE A 173 8.628 -13.496 -3.874 1.00 0.00 C ATOM 1072 CD2 PHE A 173 7.430 -12.222 -5.495 1.00 0.00 C ATOM 1073 CE1 PHE A 173 9.166 -14.275 -4.880 1.00 0.00 C ATOM 1074 CE2 PHE A 173 7.965 -12.998 -6.506 1.00 0.00 C ATOM 1075 CZ PHE A 173 8.834 -14.027 -6.198 1.00 0.00 C ATOM 0 H PHE A 173 9.676 -11.621 -2.041 1.00 0.00 H new ATOM 0 HA PHE A 173 7.944 -9.637 -3.400 1.00 0.00 H new ATOM 0 HB2 PHE A 173 6.993 -12.240 -2.198 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.203 -11.234 -3.396 1.00 0.00 H new ATOM 0 HD1 PHE A 173 8.891 -13.696 -2.846 1.00 0.00 H new ATOM 0 HD2 PHE A 173 6.750 -11.420 -5.741 1.00 0.00 H new ATOM 0 HE1 PHE A 173 9.846 -15.078 -4.636 1.00 0.00 H new ATOM 0 HE2 PHE A 173 7.704 -12.800 -7.535 1.00 0.00 H new ATOM 0 HZ PHE A 173 9.253 -14.636 -6.986 1.00 0.00 H new ATOM 1085 N ARG A 174 8.588 -9.307 -0.591 1.00 0.00 N ATOM 1086 CA ARG A 174 8.317 -8.762 0.734 1.00 0.00 C ATOM 1087 C ARG A 174 8.939 -7.377 0.889 1.00 0.00 C ATOM 1088 O ARG A 174 10.086 -7.154 0.500 1.00 0.00 O ATOM 1089 CB ARG A 174 8.857 -9.700 1.815 1.00 0.00 C ATOM 1090 CG ARG A 174 8.042 -10.971 1.980 1.00 0.00 C ATOM 1091 CD ARG A 174 7.404 -11.048 3.359 1.00 0.00 C ATOM 1092 NE ARG A 174 6.547 -12.223 3.501 1.00 0.00 N ATOM 1093 CZ ARG A 174 5.950 -12.564 4.637 1.00 0.00 C ATOM 1094 NH1 ARG A 174 6.115 -11.824 5.725 1.00 0.00 N ATOM 1095 NH2 ARG A 174 5.185 -13.647 4.687 1.00 0.00 N ATOM 0 H ARG A 174 9.549 -9.182 -0.910 1.00 0.00 H new ATOM 0 HA ARG A 174 7.237 -8.671 0.849 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.885 -9.967 1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 174 8.882 -9.168 2.766 1.00 0.00 H new ATOM 0 HG2 ARG A 174 7.266 -11.009 1.216 1.00 0.00 H new ATOM 0 HG3 ARG A 174 8.683 -11.839 1.826 1.00 0.00 H new ATOM 0 HD2 ARG A 174 8.185 -11.075 4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 174 6.817 -10.147 3.538 1.00 0.00 H new ATOM 0 HE ARG A 174 6.399 -12.814 2.683 1.00 0.00 H new ATOM 0 HH11 ARG A 174 6.702 -10.990 5.691 1.00 0.00 H new ATOM 0 HH12 ARG A 174 5.655 -12.088 6.596 1.00 0.00 H new ATOM 0 HH21 ARG A 174 5.055 -14.219 3.852 1.00 0.00 H new ATOM 0 HH22 ARG A 174 4.727 -13.908 5.560 1.00 0.00 H new ATOM 1109 N ASP A 175 8.176 -6.452 1.459 1.00 0.00 N ATOM 1110 CA ASP A 175 8.652 -5.089 1.667 1.00 0.00 C ATOM 1111 C ASP A 175 9.928 -5.081 2.503 1.00 0.00 C ATOM 1112 O ASP A 175 9.947 -5.578 3.630 1.00 0.00 O ATOM 1113 CB ASP A 175 7.573 -4.248 2.351 1.00 0.00 C ATOM 1114 CG ASP A 175 6.211 -4.417 1.707 1.00 0.00 C ATOM 1115 OD1 ASP A 175 5.608 -5.498 1.870 1.00 0.00 O ATOM 1116 OD2 ASP A 175 5.749 -3.468 1.038 1.00 0.00 O ATOM 0 H ASP A 175 7.225 -6.621 1.786 1.00 0.00 H new ATOM 0 HA ASP A 175 8.875 -4.655 0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 175 7.511 -4.527 3.403 1.00 0.00 H new ATOM 0 HB3 ASP A 175 7.860 -3.197 2.317 1.00 0.00 H new ATOM 1121 N LEU A 176 10.991 -4.514 1.944 1.00 0.00 N ATOM 1122 CA LEU A 176 12.273 -4.442 2.638 1.00 0.00 C ATOM 1123 C LEU A 176 12.793 -5.837 2.968 1.00 0.00 C ATOM 1124 O LEU A 176 13.394 -6.055 4.021 1.00 0.00 O ATOM 1125 CB LEU A 176 12.135 -3.620 3.921 1.00 0.00 C ATOM 1126 CG LEU A 176 11.199 -2.413 3.847 1.00 0.00 C ATOM 1127 CD1 LEU A 176 11.277 -1.598 5.129 1.00 0.00 C ATOM 1128 CD2 LEU A 176 11.538 -1.548 2.642 1.00 0.00 C ATOM 0 H LEU A 176 10.991 -4.098 1.013 1.00 0.00 H new ATOM 0 HA LEU A 176 12.989 -3.955 1.977 1.00 0.00 H new ATOM 0 HB2 LEU A 176 11.784 -4.279 4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 176 13.125 -3.269 4.213 1.00 0.00 H new ATOM 0 HG LEU A 176 10.178 -2.776 3.733 1.00 0.00 H new ATOM 0 HD11 LEU A 176 10.604 -0.743 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 176 10.985 -2.221 5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 176 12.298 -1.245 5.274 1.00 0.00 H new ATOM 0 HD21 LEU A 176 10.862 -0.694 2.605 1.00 0.00 H new ATOM 0 HD22 LEU A 176 12.566 -1.194 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 176 11.430 -2.136 1.730 1.00 0.00 H new ATOM 1140 N CYS A 177 12.559 -6.780 2.061 1.00 0.00 N ATOM 1141 CA CYS A 177 13.005 -8.155 2.254 1.00 0.00 C ATOM 1142 C CYS A 177 14.462 -8.196 2.704 1.00 0.00 C ATOM 1143 O CYS A 177 14.888 -9.133 3.378 1.00 0.00 O ATOM 1144 CB CYS A 177 12.836 -8.954 0.961 1.00 0.00 C ATOM 1145 SG CYS A 177 14.171 -8.696 -0.252 1.00 0.00 S ATOM 0 H CYS A 177 12.063 -6.617 1.185 1.00 0.00 H new ATOM 0 HA CYS A 177 12.390 -8.604 3.034 1.00 0.00 H new ATOM 0 HB2 CYS A 177 12.782 -10.015 1.206 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.885 -8.685 0.502 1.00 0.00 H new ATOM 1150 N ASN A 178 15.222 -7.172 2.326 1.00 0.00 N ATOM 1151 CA ASN A 178 16.631 -7.091 2.690 1.00 0.00 C ATOM 1152 C ASN A 178 17.027 -5.654 3.016 1.00 0.00 C ATOM 1153 O ASN A 178 16.171 -4.784 3.172 1.00 0.00 O ATOM 1154 CB ASN A 178 17.505 -7.627 1.554 1.00 0.00 C ATOM 1155 CG ASN A 178 17.497 -6.718 0.340 1.00 0.00 C ATOM 1156 OD1 ASN A 178 16.715 -5.770 0.266 1.00 0.00 O ATOM 1157 ND2 ASN A 178 18.370 -7.003 -0.618 1.00 0.00 N ATOM 0 H ASN A 178 14.885 -6.388 1.768 1.00 0.00 H new ATOM 0 HA ASN A 178 16.786 -7.703 3.579 1.00 0.00 H new ATOM 0 HB2 ASN A 178 18.528 -7.743 1.911 1.00 0.00 H new ATOM 0 HB3 ASN A 178 17.153 -8.618 1.265 1.00 0.00 H new ATOM 0 HD21 ASN A 178 18.412 -6.426 -1.458 1.00 0.00 H new ATOM 0 HD22 ASN A 178 18.999 -7.799 -0.514 1.00 0.00 H new