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 131 THR OG1 : rot 66:sc= 1.44 USER MOD Set 1.2: A 148 THR OG1 : rot 62:sc= 0.412 USER MOD Set 2.1: A 105 THR OG1 : rot 160:sc= -1.2 USER MOD Set 2.2: A 119 THR OG1 : rot 129:sc= 0.393 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) 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= 0.134 USER MOD Single : A 117 THR OG1 : rot 23:sc= 0.362 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 129 MET CE :methyl -146:sc= 0 (180deg=-0.263) USER MOD Single : A 130 THR OG1 : rot 74:sc= -0.177 USER MOD Single : A 150 SER OG : rot 180:sc= 0 USER MOD Single : A 152 SER OG : rot 180:sc= 0.0328 USER MOD Single : A 153 SER OG : rot 180:sc= 0.0118 USER MOD Single : A 154 SER OG : rot 54:sc= 0.0141 USER MOD Single : A 178 ASN : amide:sc= -2.09 X(o=-2.1,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 100 0.706 -0.913 -1.734 1.00 0.00 N ATOM 2 CA MET A 100 1.500 -1.027 -2.951 1.00 0.00 C ATOM 3 C MET A 100 2.893 -1.567 -2.643 1.00 0.00 C ATOM 4 O MET A 100 3.383 -1.445 -1.520 1.00 0.00 O ATOM 5 CB MET A 100 1.610 0.333 -3.644 1.00 0.00 C ATOM 6 CG MET A 100 2.244 0.263 -5.024 1.00 0.00 C ATOM 7 SD MET A 100 1.663 1.570 -6.122 1.00 0.00 S ATOM 8 CE MET A 100 0.561 0.649 -7.191 1.00 0.00 C ATOM 0 HA MET A 100 0.997 -1.727 -3.618 1.00 0.00 H new ATOM 0 HB2 MET A 100 0.614 0.768 -3.732 1.00 0.00 H new ATOM 0 HB3 MET A 100 2.197 1.004 -3.017 1.00 0.00 H new ATOM 0 HG2 MET A 100 3.327 0.331 -4.926 1.00 0.00 H new ATOM 0 HG3 MET A 100 2.025 -0.706 -5.472 1.00 0.00 H new ATOM 0 HE1 MET A 100 0.122 1.322 -7.927 1.00 0.00 H new ATOM 0 HE2 MET A 100 1.121 -0.134 -7.703 1.00 0.00 H new ATOM 0 HE3 MET A 100 -0.231 0.197 -6.594 1.00 0.00 H new ATOM 18 N LEU A 101 3.526 -2.165 -3.647 1.00 0.00 N ATOM 19 CA LEU A 101 4.863 -2.725 -3.483 1.00 0.00 C ATOM 20 C LEU A 101 5.900 -1.619 -3.315 1.00 0.00 C ATOM 21 O LEU A 101 6.033 -0.743 -4.169 1.00 0.00 O ATOM 22 CB LEU A 101 5.223 -3.598 -4.686 1.00 0.00 C ATOM 23 CG LEU A 101 6.100 -4.817 -4.393 1.00 0.00 C ATOM 24 CD1 LEU A 101 6.867 -5.233 -5.638 1.00 0.00 C ATOM 25 CD2 LEU A 101 7.057 -4.522 -3.247 1.00 0.00 C ATOM 0 H LEU A 101 3.135 -2.274 -4.583 1.00 0.00 H new ATOM 0 HA LEU A 101 4.864 -3.339 -2.583 1.00 0.00 H new ATOM 0 HB2 LEU A 101 4.298 -3.943 -5.148 1.00 0.00 H new ATOM 0 HB3 LEU A 101 5.734 -2.976 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 101 5.454 -5.643 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.485 -6.101 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.163 -5.486 -6.431 1.00 0.00 H new ATOM 0 HD13 LEU A 101 7.503 -4.410 -5.966 1.00 0.00 H new ATOM 0 HD21 LEU A 101 7.673 -5.400 -3.052 1.00 0.00 H new ATOM 0 HD22 LEU A 101 7.697 -3.682 -3.515 1.00 0.00 H new ATOM 0 HD23 LEU A 101 6.487 -4.273 -2.352 1.00 0.00 H new ATOM 37 N LYS A 102 6.634 -1.666 -2.208 1.00 0.00 N ATOM 38 CA LYS A 102 7.662 -0.671 -1.928 1.00 0.00 C ATOM 39 C LYS A 102 8.948 -1.337 -1.451 1.00 0.00 C ATOM 40 O LYS A 102 8.919 -2.238 -0.611 1.00 0.00 O ATOM 41 CB LYS A 102 7.167 0.321 -0.873 1.00 0.00 C ATOM 42 CG LYS A 102 5.958 1.127 -1.316 1.00 0.00 C ATOM 43 CD LYS A 102 4.757 0.869 -0.422 1.00 0.00 C ATOM 44 CE LYS A 102 4.604 1.955 0.633 1.00 0.00 C ATOM 45 NZ LYS A 102 4.476 1.384 2.002 1.00 0.00 N ATOM 0 H LYS A 102 6.536 -2.383 -1.490 1.00 0.00 H new ATOM 0 HA LYS A 102 7.873 -0.133 -2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.916 -0.224 0.037 1.00 0.00 H new ATOM 0 HB3 LYS A 102 7.977 1.005 -0.621 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.202 2.189 -1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.707 0.872 -2.346 1.00 0.00 H new ATOM 0 HD2 LYS A 102 3.853 0.821 -1.030 1.00 0.00 H new ATOM 0 HD3 LYS A 102 4.866 -0.100 0.065 1.00 0.00 H new ATOM 0 HE2 LYS A 102 5.466 2.621 0.596 1.00 0.00 H new ATOM 0 HE3 LYS A 102 3.725 2.559 0.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 4.374 2.156 2.692 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 3.639 0.768 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 5.326 0.829 2.227 1.00 0.00 H new ATOM 59 N CYS A 103 10.077 -0.888 -1.989 1.00 0.00 N ATOM 60 CA CYS A 103 11.375 -1.439 -1.618 1.00 0.00 C ATOM 61 C CYS A 103 12.388 -0.326 -1.371 1.00 0.00 C ATOM 62 O CYS A 103 12.150 0.832 -1.716 1.00 0.00 O ATOM 63 CB CYS A 103 11.887 -2.376 -2.713 1.00 0.00 C ATOM 64 SG CYS A 103 11.384 -4.114 -2.501 1.00 0.00 S ATOM 0 H CYS A 103 10.119 -0.143 -2.684 1.00 0.00 H new ATOM 0 HA CYS A 103 11.251 -2.004 -0.694 1.00 0.00 H new ATOM 0 HB2 CYS A 103 11.527 -2.020 -3.678 1.00 0.00 H new ATOM 0 HB3 CYS A 103 12.975 -2.325 -2.740 1.00 0.00 H new ATOM 69 N TYR A 104 13.518 -0.684 -0.772 1.00 0.00 N ATOM 70 CA TYR A 104 14.567 0.284 -0.476 1.00 0.00 C ATOM 71 C TYR A 104 15.372 0.616 -1.729 1.00 0.00 C ATOM 72 O TYR A 104 16.495 0.143 -1.904 1.00 0.00 O ATOM 73 CB TYR A 104 15.497 -0.255 0.612 1.00 0.00 C ATOM 74 CG TYR A 104 14.924 -0.145 2.007 1.00 0.00 C ATOM 75 CD1 TYR A 104 14.938 1.064 2.692 1.00 0.00 C ATOM 76 CD2 TYR A 104 14.368 -1.250 2.640 1.00 0.00 C ATOM 77 CE1 TYR A 104 14.416 1.169 3.966 1.00 0.00 C ATOM 78 CE2 TYR A 104 13.842 -1.154 3.914 1.00 0.00 C ATOM 79 CZ TYR A 104 13.869 0.058 4.573 1.00 0.00 C ATOM 80 OH TYR A 104 13.348 0.159 5.843 1.00 0.00 O ATOM 0 H TYR A 104 13.731 -1.638 -0.482 1.00 0.00 H new ATOM 0 HA TYR A 104 14.091 1.197 -0.118 1.00 0.00 H new ATOM 0 HB2 TYR A 104 15.721 -1.301 0.402 1.00 0.00 H new ATOM 0 HB3 TYR A 104 16.442 0.287 0.572 1.00 0.00 H new ATOM 0 HD1 TYR A 104 15.365 1.937 2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 104 14.347 -2.200 2.127 1.00 0.00 H new ATOM 0 HE1 TYR A 104 14.436 2.116 4.484 1.00 0.00 H new ATOM 0 HE2 TYR A 104 13.412 -2.022 4.391 1.00 0.00 H new ATOM 0 HH TYR A 104 13.001 -0.713 6.125 1.00 0.00 H new ATOM 90 N THR A 105 14.788 1.433 -2.601 1.00 0.00 N ATOM 91 CA THR A 105 15.449 1.828 -3.838 1.00 0.00 C ATOM 92 C THR A 105 16.004 3.244 -3.737 1.00 0.00 C ATOM 93 O THR A 105 15.268 4.194 -3.468 1.00 0.00 O ATOM 94 CB THR A 105 14.486 1.752 -5.038 1.00 0.00 C ATOM 95 OG1 THR A 105 13.672 2.929 -5.089 1.00 0.00 O ATOM 96 CG2 THR A 105 13.598 0.520 -4.942 1.00 0.00 C ATOM 0 H THR A 105 13.859 1.834 -2.473 1.00 0.00 H new ATOM 0 HA THR A 105 16.270 1.129 -3.995 1.00 0.00 H new ATOM 0 HB THR A 105 15.081 1.682 -5.949 1.00 0.00 H new ATOM 0 HG1 THR A 105 13.305 3.034 -5.992 1.00 0.00 H new ATOM 0 HG21 THR A 105 12.927 0.488 -5.800 1.00 0.00 H new ATOM 0 HG22 THR A 105 14.219 -0.376 -4.933 1.00 0.00 H new ATOM 0 HG23 THR A 105 13.012 0.565 -4.024 1.00 0.00 H new ATOM 104 N CYS A 106 17.308 3.380 -3.954 1.00 0.00 N ATOM 105 CA CYS A 106 17.964 4.680 -3.888 1.00 0.00 C ATOM 106 C CYS A 106 17.830 5.425 -5.213 1.00 0.00 C ATOM 107 O CYS A 106 17.543 4.826 -6.249 1.00 0.00 O ATOM 108 CB CYS A 106 19.442 4.512 -3.532 1.00 0.00 C ATOM 109 SG CYS A 106 20.309 3.258 -4.530 1.00 0.00 S ATOM 0 H CYS A 106 17.932 2.604 -4.177 1.00 0.00 H new ATOM 0 HA CYS A 106 17.475 5.266 -3.110 1.00 0.00 H new ATOM 0 HB2 CYS A 106 19.946 5.471 -3.655 1.00 0.00 H new ATOM 0 HB3 CYS A 106 19.523 4.242 -2.479 1.00 0.00 H new ATOM 0 HG CYS A 106 21.552 3.190 -4.157 1.00 0.00 H new ATOM 262 N THR A 117 16.422 3.606 0.778 1.00 0.00 N ATOM 263 CA THR A 117 15.384 4.629 0.802 1.00 0.00 C ATOM 264 C THR A 117 14.028 4.046 0.419 1.00 0.00 C ATOM 265 O THR A 117 13.906 3.342 -0.584 1.00 0.00 O ATOM 266 CB THR A 117 15.718 5.791 -0.151 1.00 0.00 C ATOM 267 OG1 THR A 117 17.117 6.089 -0.090 1.00 0.00 O ATOM 268 CG2 THR A 117 14.914 7.032 0.206 1.00 0.00 C ATOM 0 HA THR A 117 15.338 5.008 1.823 1.00 0.00 H new ATOM 0 HB THR A 117 15.456 5.487 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 117 17.604 5.305 0.240 1.00 0.00 H new ATOM 0 HG21 THR A 117 15.167 7.840 -0.481 1.00 0.00 H new ATOM 0 HG22 THR A 117 13.850 6.810 0.129 1.00 0.00 H new ATOM 0 HG23 THR A 117 15.149 7.337 1.226 1.00 0.00 H new ATOM 276 N ILE A 118 13.013 4.343 1.223 1.00 0.00 N ATOM 277 CA ILE A 118 11.666 3.849 0.966 1.00 0.00 C ATOM 278 C ILE A 118 11.094 4.451 -0.313 1.00 0.00 C ATOM 279 O ILE A 118 10.862 5.658 -0.396 1.00 0.00 O ATOM 280 CB ILE A 118 10.717 4.166 2.137 1.00 0.00 C ATOM 281 CG1 ILE A 118 11.245 3.544 3.432 1.00 0.00 C ATOM 282 CG2 ILE A 118 9.314 3.661 1.834 1.00 0.00 C ATOM 283 CD1 ILE A 118 10.337 3.765 4.622 1.00 0.00 C ATOM 0 H ILE A 118 13.098 4.923 2.058 1.00 0.00 H new ATOM 0 HA ILE A 118 11.743 2.768 0.853 1.00 0.00 H new ATOM 0 HB ILE A 118 10.672 5.247 2.267 1.00 0.00 H new ATOM 0 HG12 ILE A 118 11.380 2.473 3.282 1.00 0.00 H new ATOM 0 HG13 ILE A 118 12.227 3.962 3.652 1.00 0.00 H new ATOM 0 HG21 ILE A 118 8.655 3.893 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 118 8.940 4.146 0.933 1.00 0.00 H new ATOM 0 HG23 ILE A 118 9.341 2.582 1.681 1.00 0.00 H new ATOM 0 HD11 ILE A 118 10.774 3.297 5.505 1.00 0.00 H new ATOM 0 HD12 ILE A 118 10.221 4.835 4.798 1.00 0.00 H new ATOM 0 HD13 ILE A 118 9.361 3.322 4.422 1.00 0.00 H new ATOM 295 N THR A 119 10.867 3.602 -1.311 1.00 0.00 N ATOM 296 CA THR A 119 10.322 4.049 -2.586 1.00 0.00 C ATOM 297 C THR A 119 9.173 3.154 -3.037 1.00 0.00 C ATOM 298 O THR A 119 9.190 1.944 -2.809 1.00 0.00 O ATOM 299 CB THR A 119 11.403 4.068 -3.683 1.00 0.00 C ATOM 300 OG1 THR A 119 12.369 5.087 -3.401 1.00 0.00 O ATOM 301 CG2 THR A 119 10.783 4.315 -5.050 1.00 0.00 C ATOM 0 H THR A 119 11.053 2.600 -1.260 1.00 0.00 H new ATOM 0 HA THR A 119 9.951 5.063 -2.433 1.00 0.00 H new ATOM 0 HB THR A 119 11.894 3.095 -3.695 1.00 0.00 H new ATOM 0 HG1 THR A 119 13.270 4.704 -3.444 1.00 0.00 H new ATOM 0 HG21 THR A 119 11.566 4.324 -5.808 1.00 0.00 H new ATOM 0 HG22 THR A 119 10.070 3.522 -5.275 1.00 0.00 H new ATOM 0 HG23 THR A 119 10.269 5.276 -5.048 1.00 0.00 H new ATOM 309 N ARG A 120 8.177 3.756 -3.678 1.00 0.00 N ATOM 310 CA ARG A 120 7.019 3.013 -4.161 1.00 0.00 C ATOM 311 C ARG A 120 7.255 2.499 -5.578 1.00 0.00 C ATOM 312 O ARG A 120 7.569 3.270 -6.485 1.00 0.00 O ATOM 313 CB ARG A 120 5.770 3.895 -4.128 1.00 0.00 C ATOM 314 CG ARG A 120 5.712 4.824 -2.926 1.00 0.00 C ATOM 315 CD ARG A 120 6.081 6.250 -3.305 1.00 0.00 C ATOM 316 NE ARG A 120 5.676 7.210 -2.282 1.00 0.00 N ATOM 317 CZ ARG A 120 4.412 7.541 -2.043 1.00 0.00 C ATOM 318 NH1 ARG A 120 3.435 6.992 -2.751 1.00 0.00 N ATOM 319 NH2 ARG A 120 4.124 8.424 -1.095 1.00 0.00 N ATOM 0 H ARG A 120 8.148 4.756 -3.875 1.00 0.00 H new ATOM 0 HA ARG A 120 6.868 2.157 -3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 120 5.732 4.491 -5.040 1.00 0.00 H new ATOM 0 HB3 ARG A 120 4.886 3.258 -4.127 1.00 0.00 H new ATOM 0 HG2 ARG A 120 4.709 4.808 -2.500 1.00 0.00 H new ATOM 0 HG3 ARG A 120 6.392 4.464 -2.154 1.00 0.00 H new ATOM 0 HD2 ARG A 120 7.158 6.317 -3.459 1.00 0.00 H new ATOM 0 HD3 ARG A 120 5.607 6.508 -4.252 1.00 0.00 H new ATOM 0 HE ARG A 120 6.404 7.651 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 120 3.653 6.314 -3.481 1.00 0.00 H new ATOM 0 HH12 ARG A 120 2.465 7.248 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 120 4.874 8.849 -0.549 1.00 0.00 H new ATOM 0 HH22 ARG A 120 3.153 8.678 -0.912 1.00 0.00 H new ATOM 333 N CYS A 121 7.102 1.192 -5.761 1.00 0.00 N ATOM 334 CA CYS A 121 7.299 0.574 -7.067 1.00 0.00 C ATOM 335 C CYS A 121 6.144 0.908 -8.006 1.00 0.00 C ATOM 336 O CYS A 121 5.216 1.627 -7.637 1.00 0.00 O ATOM 337 CB CYS A 121 7.431 -0.943 -6.921 1.00 0.00 C ATOM 338 SG CYS A 121 8.996 -1.485 -6.163 1.00 0.00 S ATOM 0 H CYS A 121 6.842 0.540 -5.021 1.00 0.00 H new ATOM 0 HA CYS A 121 8.219 0.972 -7.496 1.00 0.00 H new ATOM 0 HB2 CYS A 121 6.601 -1.313 -6.319 1.00 0.00 H new ATOM 0 HB3 CYS A 121 7.339 -1.401 -7.906 1.00 0.00 H new ATOM 343 N LYS A 122 6.208 0.380 -9.224 1.00 0.00 N ATOM 344 CA LYS A 122 5.168 0.620 -10.218 1.00 0.00 C ATOM 345 C LYS A 122 4.062 -0.425 -10.110 1.00 0.00 C ATOM 346 O LYS A 122 4.233 -1.486 -9.509 1.00 0.00 O ATOM 347 CB LYS A 122 5.766 0.601 -11.626 1.00 0.00 C ATOM 348 CG LYS A 122 7.218 1.044 -11.677 1.00 0.00 C ATOM 349 CD LYS A 122 7.391 2.453 -11.135 1.00 0.00 C ATOM 350 CE LYS A 122 8.858 2.845 -11.058 1.00 0.00 C ATOM 351 NZ LYS A 122 9.086 3.958 -10.094 1.00 0.00 N ATOM 0 H LYS A 122 6.969 -0.217 -9.547 1.00 0.00 H new ATOM 0 HA LYS A 122 4.736 1.602 -10.027 1.00 0.00 H new ATOM 0 HB2 LYS A 122 5.688 -0.408 -12.031 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.174 1.250 -12.272 1.00 0.00 H new ATOM 0 HG2 LYS A 122 7.831 0.353 -11.098 1.00 0.00 H new ATOM 0 HG3 LYS A 122 7.576 1.002 -12.706 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.858 3.157 -11.774 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.943 2.520 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 122 9.450 1.980 -10.760 1.00 0.00 H new ATOM 0 HE3 LYS A 122 9.206 3.144 -12.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 10.098 4.195 -10.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 8.541 4.792 -10.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 8.778 3.664 -9.145 1.00 0.00 H new ATOM 365 N PRO A 123 2.900 -0.121 -10.708 1.00 0.00 N ATOM 366 CA PRO A 123 1.744 -1.023 -10.694 1.00 0.00 C ATOM 367 C PRO A 123 1.969 -2.267 -11.546 1.00 0.00 C ATOM 368 O PRO A 123 1.398 -3.324 -11.280 1.00 0.00 O ATOM 369 CB PRO A 123 0.620 -0.167 -11.284 1.00 0.00 C ATOM 370 CG PRO A 123 1.317 0.844 -12.128 1.00 0.00 C ATOM 371 CD PRO A 123 2.626 1.125 -11.442 1.00 0.00 C ATOM 0 HA PRO A 123 1.532 -1.399 -9.693 1.00 0.00 H new ATOM 0 HB2 PRO A 123 -0.068 -0.770 -11.876 1.00 0.00 H new ATOM 0 HB3 PRO A 123 0.032 0.310 -10.500 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.479 0.465 -13.137 1.00 0.00 H new ATOM 0 HG3 PRO A 123 0.722 1.752 -12.220 1.00 0.00 H new ATOM 0 HD2 PRO A 123 3.415 1.351 -12.159 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.552 1.980 -10.770 1.00 0.00 H new ATOM 379 N GLU A 124 2.806 -2.134 -12.571 1.00 0.00 N ATOM 380 CA GLU A 124 3.105 -3.249 -13.461 1.00 0.00 C ATOM 381 C GLU A 124 4.071 -4.229 -12.800 1.00 0.00 C ATOM 382 O GLU A 124 4.097 -5.413 -13.136 1.00 0.00 O ATOM 383 CB GLU A 124 3.701 -2.737 -14.774 1.00 0.00 C ATOM 384 CG GLU A 124 3.083 -1.434 -15.255 1.00 0.00 C ATOM 385 CD GLU A 124 3.536 -1.054 -16.651 1.00 0.00 C ATOM 386 OE1 GLU A 124 2.984 -1.608 -17.625 1.00 0.00 O ATOM 387 OE2 GLU A 124 4.442 -0.204 -16.770 1.00 0.00 O ATOM 0 H GLU A 124 3.288 -1.266 -12.805 1.00 0.00 H new ATOM 0 HA GLU A 124 2.172 -3.771 -13.673 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.774 -2.595 -14.645 1.00 0.00 H new ATOM 0 HB3 GLU A 124 3.570 -3.498 -15.544 1.00 0.00 H new ATOM 0 HG2 GLU A 124 1.997 -1.525 -15.242 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.345 -0.634 -14.562 1.00 0.00 H new ATOM 394 N ASP A 125 4.864 -3.726 -11.860 1.00 0.00 N ATOM 395 CA ASP A 125 5.831 -4.555 -11.152 1.00 0.00 C ATOM 396 C ASP A 125 5.189 -5.224 -9.940 1.00 0.00 C ATOM 397 O ASP A 125 4.291 -4.664 -9.311 1.00 0.00 O ATOM 398 CB ASP A 125 7.030 -3.714 -10.710 1.00 0.00 C ATOM 399 CG ASP A 125 8.136 -3.694 -11.746 1.00 0.00 C ATOM 400 OD1 ASP A 125 7.908 -4.194 -12.867 1.00 0.00 O ATOM 401 OD2 ASP A 125 9.231 -3.179 -11.436 1.00 0.00 O ATOM 0 H ASP A 125 4.856 -2.748 -11.571 1.00 0.00 H new ATOM 0 HA ASP A 125 6.174 -5.332 -11.835 1.00 0.00 H new ATOM 0 HB2 ASP A 125 6.702 -2.693 -10.514 1.00 0.00 H new ATOM 0 HB3 ASP A 125 7.421 -4.109 -9.772 1.00 0.00 H new ATOM 406 N THR A 126 5.655 -6.427 -9.618 1.00 0.00 N ATOM 407 CA THR A 126 5.126 -7.173 -8.484 1.00 0.00 C ATOM 408 C THR A 126 6.241 -7.597 -7.535 1.00 0.00 C ATOM 409 O THR A 126 5.996 -7.892 -6.366 1.00 0.00 O ATOM 410 CB THR A 126 4.357 -8.426 -8.945 1.00 0.00 C ATOM 411 OG1 THR A 126 5.116 -9.130 -9.935 1.00 0.00 O ATOM 412 CG2 THR A 126 2.998 -8.047 -9.516 1.00 0.00 C ATOM 0 H THR A 126 6.398 -6.905 -10.127 1.00 0.00 H new ATOM 0 HA THR A 126 4.441 -6.506 -7.960 1.00 0.00 H new ATOM 0 HB THR A 126 4.203 -9.070 -8.079 1.00 0.00 H new ATOM 0 HG1 THR A 126 4.621 -9.926 -10.222 1.00 0.00 H new ATOM 0 HG21 THR A 126 2.473 -8.948 -9.835 1.00 0.00 H new ATOM 0 HG22 THR A 126 2.412 -7.537 -8.752 1.00 0.00 H new ATOM 0 HG23 THR A 126 3.134 -7.385 -10.371 1.00 0.00 H new ATOM 420 N ALA A 127 7.468 -7.623 -8.046 1.00 0.00 N ATOM 421 CA ALA A 127 8.622 -8.008 -7.243 1.00 0.00 C ATOM 422 C ALA A 127 9.712 -6.944 -7.304 1.00 0.00 C ATOM 423 O ALA A 127 9.667 -6.041 -8.140 1.00 0.00 O ATOM 424 CB ALA A 127 9.165 -9.351 -7.709 1.00 0.00 C ATOM 0 H ALA A 127 7.688 -7.382 -9.012 1.00 0.00 H new ATOM 0 HA ALA A 127 8.298 -8.100 -6.206 1.00 0.00 H new ATOM 0 HB1 ALA A 127 10.027 -9.626 -7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 127 8.391 -10.112 -7.607 1.00 0.00 H new ATOM 0 HB3 ALA A 127 9.467 -9.279 -8.754 1.00 0.00 H new ATOM 430 N CYS A 128 10.691 -7.055 -6.412 1.00 0.00 N ATOM 431 CA CYS A 128 11.794 -6.102 -6.363 1.00 0.00 C ATOM 432 C CYS A 128 13.087 -6.740 -6.861 1.00 0.00 C ATOM 433 O CYS A 128 13.173 -7.959 -7.008 1.00 0.00 O ATOM 434 CB CYS A 128 11.984 -5.584 -4.936 1.00 0.00 C ATOM 435 SG CYS A 128 10.553 -4.666 -4.281 1.00 0.00 S ATOM 0 H CYS A 128 10.743 -7.796 -5.713 1.00 0.00 H new ATOM 0 HA CYS A 128 11.548 -5.265 -7.017 1.00 0.00 H new ATOM 0 HB2 CYS A 128 12.192 -6.429 -4.279 1.00 0.00 H new ATOM 0 HB3 CYS A 128 12.860 -4.936 -4.910 1.00 0.00 H new ATOM 440 N MET A 129 14.091 -5.908 -7.117 1.00 0.00 N ATOM 441 CA MET A 129 15.380 -6.391 -7.597 1.00 0.00 C ATOM 442 C MET A 129 16.526 -5.645 -6.920 1.00 0.00 C ATOM 443 O MET A 129 16.363 -4.509 -6.472 1.00 0.00 O ATOM 444 CB MET A 129 15.477 -6.229 -9.115 1.00 0.00 C ATOM 445 CG MET A 129 16.135 -7.409 -9.811 1.00 0.00 C ATOM 446 SD MET A 129 16.393 -7.121 -11.572 1.00 0.00 S ATOM 447 CE MET A 129 16.264 -8.790 -12.211 1.00 0.00 C ATOM 0 H MET A 129 14.037 -4.896 -7.000 1.00 0.00 H new ATOM 0 HA MET A 129 15.460 -7.449 -7.346 1.00 0.00 H new ATOM 0 HB2 MET A 129 14.475 -6.090 -9.522 1.00 0.00 H new ATOM 0 HB3 MET A 129 16.041 -5.324 -9.340 1.00 0.00 H new ATOM 0 HG2 MET A 129 17.094 -7.617 -9.337 1.00 0.00 H new ATOM 0 HG3 MET A 129 15.515 -8.296 -9.679 1.00 0.00 H new ATOM 0 HE1 MET A 129 16.940 -8.908 -13.058 1.00 0.00 H new ATOM 0 HE2 MET A 129 16.534 -9.501 -11.430 1.00 0.00 H new ATOM 0 HE3 MET A 129 15.240 -8.978 -12.534 1.00 0.00 H new ATOM 457 N THR A 130 17.686 -6.290 -6.848 1.00 0.00 N ATOM 458 CA THR A 130 18.858 -5.689 -6.225 1.00 0.00 C ATOM 459 C THR A 130 20.142 -6.164 -6.895 1.00 0.00 C ATOM 460 O THR A 130 20.287 -7.344 -7.219 1.00 0.00 O ATOM 461 CB THR A 130 18.925 -6.016 -4.721 1.00 0.00 C ATOM 462 OG1 THR A 130 17.623 -5.906 -4.137 1.00 0.00 O ATOM 463 CG2 THR A 130 19.888 -5.081 -4.006 1.00 0.00 C ATOM 0 H THR A 130 17.839 -7.230 -7.214 1.00 0.00 H new ATOM 0 HA THR A 130 18.764 -4.610 -6.351 1.00 0.00 H new ATOM 0 HB THR A 130 19.287 -7.038 -4.610 1.00 0.00 H new ATOM 0 HG1 THR A 130 17.078 -6.675 -4.406 1.00 0.00 H new ATOM 0 HG21 THR A 130 19.918 -5.331 -2.946 1.00 0.00 H new ATOM 0 HG22 THR A 130 20.885 -5.189 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 130 19.552 -4.051 -4.126 1.00 0.00 H new ATOM 471 N THR A 131 21.075 -5.239 -7.100 1.00 0.00 N ATOM 472 CA THR A 131 22.347 -5.564 -7.732 1.00 0.00 C ATOM 473 C THR A 131 23.503 -5.417 -6.749 1.00 0.00 C ATOM 474 O THR A 131 23.714 -4.345 -6.179 1.00 0.00 O ATOM 475 CB THR A 131 22.612 -4.667 -8.956 1.00 0.00 C ATOM 476 OG1 THR A 131 21.374 -4.322 -9.588 1.00 0.00 O ATOM 477 CG2 THR A 131 23.519 -5.369 -9.956 1.00 0.00 C ATOM 0 H THR A 131 20.973 -4.259 -6.837 1.00 0.00 H new ATOM 0 HA THR A 131 22.281 -6.602 -8.059 1.00 0.00 H new ATOM 0 HB THR A 131 23.110 -3.760 -8.613 1.00 0.00 H new ATOM 0 HG1 THR A 131 20.846 -3.756 -8.987 1.00 0.00 H new ATOM 0 HG21 THR A 131 23.692 -4.716 -10.811 1.00 0.00 H new ATOM 0 HG22 THR A 131 24.471 -5.604 -9.481 1.00 0.00 H new ATOM 0 HG23 THR A 131 23.045 -6.291 -10.293 1.00 0.00 H new ATOM 733 N THR A 148 22.741 -1.485 -7.473 1.00 0.00 N ATOM 734 CA THR A 148 21.532 -0.782 -7.883 1.00 0.00 C ATOM 735 C THR A 148 20.284 -1.585 -7.535 1.00 0.00 C ATOM 736 O THR A 148 20.125 -2.725 -7.973 1.00 0.00 O ATOM 737 CB THR A 148 21.537 -0.493 -9.396 1.00 0.00 C ATOM 738 OG1 THR A 148 22.275 -1.507 -10.087 1.00 0.00 O ATOM 739 CG2 THR A 148 22.147 0.871 -9.684 1.00 0.00 C ATOM 0 HA THR A 148 21.516 0.163 -7.340 1.00 0.00 H new ATOM 0 HB THR A 148 20.505 -0.494 -9.747 1.00 0.00 H new ATOM 0 HG1 THR A 148 21.843 -2.376 -9.951 1.00 0.00 H new ATOM 0 HG21 THR A 148 22.140 1.053 -10.759 1.00 0.00 H new ATOM 0 HG22 THR A 148 21.565 1.643 -9.181 1.00 0.00 H new ATOM 0 HG23 THR A 148 23.174 0.895 -9.319 1.00 0.00 H new ATOM 747 N ARG A 149 19.401 -0.984 -6.744 1.00 0.00 N ATOM 748 CA ARG A 149 18.167 -1.645 -6.337 1.00 0.00 C ATOM 749 C ARG A 149 16.962 -1.029 -7.042 1.00 0.00 C ATOM 750 O ARG A 149 16.651 0.147 -6.849 1.00 0.00 O ATOM 751 CB ARG A 149 17.988 -1.548 -4.820 1.00 0.00 C ATOM 752 CG ARG A 149 17.253 -2.733 -4.217 1.00 0.00 C ATOM 753 CD ARG A 149 17.160 -2.619 -2.703 1.00 0.00 C ATOM 754 NE ARG A 149 17.738 -3.779 -2.030 1.00 0.00 N ATOM 755 CZ ARG A 149 18.133 -3.772 -0.762 1.00 0.00 C ATOM 756 NH1 ARG A 149 18.012 -2.672 -0.033 1.00 0.00 N ATOM 757 NH2 ARG A 149 18.649 -4.868 -0.221 1.00 0.00 N ATOM 0 H ARG A 149 19.517 -0.041 -6.373 1.00 0.00 H new ATOM 0 HA ARG A 149 18.236 -2.695 -6.622 1.00 0.00 H new ATOM 0 HB2 ARG A 149 18.969 -1.463 -4.352 1.00 0.00 H new ATOM 0 HB3 ARG A 149 17.442 -0.634 -4.585 1.00 0.00 H new ATOM 0 HG2 ARG A 149 16.251 -2.795 -4.641 1.00 0.00 H new ATOM 0 HG3 ARG A 149 17.769 -3.656 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 149 17.675 -1.716 -2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 149 16.115 -2.514 -2.411 1.00 0.00 H new ATOM 0 HE ARG A 149 17.844 -4.642 -2.563 1.00 0.00 H new ATOM 0 HH11 ARG A 149 17.615 -1.828 -0.445 1.00 0.00 H new ATOM 0 HH12 ARG A 149 18.316 -2.669 0.941 1.00 0.00 H new ATOM 0 HH21 ARG A 149 18.743 -5.717 -0.779 1.00 0.00 H new ATOM 0 HH22 ARG A 149 18.952 -4.862 0.753 1.00 0.00 H new ATOM 771 N SER A 150 16.288 -1.830 -7.860 1.00 0.00 N ATOM 772 CA SER A 150 15.120 -1.363 -8.597 1.00 0.00 C ATOM 773 C SER A 150 14.047 -2.446 -8.658 1.00 0.00 C ATOM 774 O SER A 150 14.340 -3.635 -8.529 1.00 0.00 O ATOM 775 CB SER A 150 15.519 -0.945 -10.014 1.00 0.00 C ATOM 776 OG SER A 150 16.568 -1.758 -10.509 1.00 0.00 O ATOM 0 H SER A 150 16.531 -2.806 -8.029 1.00 0.00 H new ATOM 0 HA SER A 150 14.711 -0.500 -8.072 1.00 0.00 H new ATOM 0 HB2 SER A 150 14.655 -1.018 -10.675 1.00 0.00 H new ATOM 0 HB3 SER A 150 15.833 0.099 -10.014 1.00 0.00 H new ATOM 0 HG SER A 150 16.803 -1.472 -11.416 1.00 0.00 H new ATOM 782 N CYS A 151 12.802 -2.025 -8.854 1.00 0.00 N ATOM 783 CA CYS A 151 11.683 -2.957 -8.931 1.00 0.00 C ATOM 784 C CYS A 151 11.768 -3.806 -10.196 1.00 0.00 C ATOM 785 O CYS A 151 12.503 -3.478 -11.128 1.00 0.00 O ATOM 786 CB CYS A 151 10.356 -2.196 -8.903 1.00 0.00 C ATOM 787 SG CYS A 151 10.266 -0.906 -7.620 1.00 0.00 S ATOM 0 H CYS A 151 12.542 -1.045 -8.962 1.00 0.00 H new ATOM 0 HA CYS A 151 11.734 -3.619 -8.066 1.00 0.00 H new ATOM 0 HB2 CYS A 151 10.192 -1.736 -9.878 1.00 0.00 H new ATOM 0 HB3 CYS A 151 9.545 -2.907 -8.746 1.00 0.00 H new ATOM 792 N SER A 152 11.010 -4.897 -10.222 1.00 0.00 N ATOM 793 CA SER A 152 11.002 -5.796 -11.370 1.00 0.00 C ATOM 794 C SER A 152 9.648 -6.485 -11.512 1.00 0.00 C ATOM 795 O SER A 152 8.958 -6.730 -10.523 1.00 0.00 O ATOM 796 CB SER A 152 12.109 -6.844 -11.233 1.00 0.00 C ATOM 797 OG SER A 152 12.120 -7.722 -12.345 1.00 0.00 O ATOM 0 H SER A 152 10.393 -5.180 -9.461 1.00 0.00 H new ATOM 0 HA SER A 152 11.183 -5.202 -12.266 1.00 0.00 H new ATOM 0 HB2 SER A 152 13.076 -6.348 -11.148 1.00 0.00 H new ATOM 0 HB3 SER A 152 11.962 -7.415 -10.316 1.00 0.00 H new ATOM 0 HG SER A 152 12.837 -8.381 -12.234 1.00 0.00 H new ATOM 803 N SER A 153 9.276 -6.795 -12.749 1.00 0.00 N ATOM 804 CA SER A 153 8.003 -7.452 -13.022 1.00 0.00 C ATOM 805 C SER A 153 8.186 -8.962 -13.139 1.00 0.00 C ATOM 806 O SER A 153 7.280 -9.677 -13.570 1.00 0.00 O ATOM 807 CB SER A 153 7.385 -6.900 -14.309 1.00 0.00 C ATOM 808 OG SER A 153 8.342 -6.850 -15.353 1.00 0.00 O ATOM 0 H SER A 153 9.838 -6.602 -13.578 1.00 0.00 H new ATOM 0 HA SER A 153 7.331 -7.248 -12.189 1.00 0.00 H new ATOM 0 HB2 SER A 153 6.545 -7.526 -14.611 1.00 0.00 H new ATOM 0 HB3 SER A 153 6.988 -5.901 -14.127 1.00 0.00 H new ATOM 0 HG SER A 153 7.922 -6.496 -16.165 1.00 0.00 H new ATOM 814 N SER A 154 9.364 -9.441 -12.753 1.00 0.00 N ATOM 815 CA SER A 154 9.668 -10.866 -12.818 1.00 0.00 C ATOM 816 C SER A 154 10.973 -11.176 -12.090 1.00 0.00 C ATOM 817 O SER A 154 12.060 -11.031 -12.651 1.00 0.00 O ATOM 818 CB SER A 154 9.763 -11.323 -14.275 1.00 0.00 C ATOM 819 OG SER A 154 10.426 -10.357 -15.071 1.00 0.00 O ATOM 0 H SER A 154 10.123 -8.864 -12.392 1.00 0.00 H new ATOM 0 HA SER A 154 8.860 -11.408 -12.327 1.00 0.00 H new ATOM 0 HB2 SER A 154 10.298 -12.271 -14.328 1.00 0.00 H new ATOM 0 HB3 SER A 154 8.762 -11.499 -14.670 1.00 0.00 H new ATOM 0 HG SER A 154 11.293 -10.141 -14.669 1.00 0.00 H new ATOM 825 N CYS A 155 10.857 -11.604 -10.838 1.00 0.00 N ATOM 826 CA CYS A 155 12.025 -11.935 -10.031 1.00 0.00 C ATOM 827 C CYS A 155 12.743 -13.160 -10.590 1.00 0.00 C ATOM 828 O CYS A 155 12.149 -14.228 -10.736 1.00 0.00 O ATOM 829 CB CYS A 155 11.613 -12.190 -8.579 1.00 0.00 C ATOM 830 SG CYS A 155 12.802 -13.195 -7.634 1.00 0.00 S ATOM 0 H CYS A 155 9.965 -11.730 -10.360 1.00 0.00 H new ATOM 0 HA CYS A 155 12.710 -11.088 -10.064 1.00 0.00 H new ATOM 0 HB2 CYS A 155 11.483 -11.232 -8.076 1.00 0.00 H new ATOM 0 HB3 CYS A 155 10.644 -12.689 -8.570 1.00 0.00 H new ATOM 835 N VAL A 156 14.025 -12.996 -10.900 1.00 0.00 N ATOM 836 CA VAL A 156 14.826 -14.088 -11.442 1.00 0.00 C ATOM 837 C VAL A 156 16.219 -14.107 -10.824 1.00 0.00 C ATOM 838 O VAL A 156 16.663 -13.120 -10.238 1.00 0.00 O ATOM 839 CB VAL A 156 14.957 -13.982 -12.973 1.00 0.00 C ATOM 840 CG1 VAL A 156 15.365 -15.321 -13.568 1.00 0.00 C ATOM 841 CG2 VAL A 156 13.653 -13.492 -13.586 1.00 0.00 C ATOM 0 H VAL A 156 14.531 -12.118 -10.785 1.00 0.00 H new ATOM 0 HA VAL A 156 14.308 -15.014 -11.192 1.00 0.00 H new ATOM 0 HB VAL A 156 15.737 -13.256 -13.204 1.00 0.00 H new ATOM 0 HG11 VAL A 156 15.453 -15.227 -14.650 1.00 0.00 H new ATOM 0 HG12 VAL A 156 16.325 -15.627 -13.152 1.00 0.00 H new ATOM 0 HG13 VAL A 156 14.610 -16.070 -13.329 1.00 0.00 H new ATOM 0 HG21 VAL A 156 13.763 -13.423 -14.668 1.00 0.00 H new ATOM 0 HG22 VAL A 156 12.853 -14.192 -13.347 1.00 0.00 H new ATOM 0 HG23 VAL A 156 13.408 -12.509 -13.183 1.00 0.00 H new ATOM 987 N LEU A 168 25.462 -10.593 -8.394 1.00 0.00 N ATOM 988 CA LEU A 168 24.625 -11.038 -7.284 1.00 0.00 C ATOM 989 C LEU A 168 23.265 -10.349 -7.318 1.00 0.00 C ATOM 990 O LEU A 168 23.073 -9.303 -6.698 1.00 0.00 O ATOM 991 CB LEU A 168 25.320 -10.756 -5.951 1.00 0.00 C ATOM 992 CG LEU A 168 26.275 -11.840 -5.449 1.00 0.00 C ATOM 993 CD1 LEU A 168 25.496 -13.038 -4.927 1.00 0.00 C ATOM 994 CD2 LEU A 168 27.229 -12.264 -6.556 1.00 0.00 C ATOM 0 HA LEU A 168 24.470 -12.112 -7.385 1.00 0.00 H new ATOM 0 HB2 LEU A 168 25.877 -9.824 -6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 168 24.554 -10.595 -5.192 1.00 0.00 H new ATOM 0 HG LEU A 168 26.862 -11.428 -4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 168 26.192 -13.799 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 168 24.854 -12.724 -4.104 1.00 0.00 H new ATOM 0 HD13 LEU A 168 24.883 -13.451 -5.728 1.00 0.00 H new ATOM 0 HD21 LEU A 168 27.901 -13.036 -6.181 1.00 0.00 H new ATOM 0 HD22 LEU A 168 26.658 -12.657 -7.397 1.00 0.00 H new ATOM 0 HD23 LEU A 168 27.812 -11.403 -6.884 1.00 0.00 H new ATOM 1006 N ILE A 169 22.324 -10.945 -8.042 1.00 0.00 N ATOM 1007 CA ILE A 169 20.980 -10.390 -8.153 1.00 0.00 C ATOM 1008 C ILE A 169 20.079 -10.907 -7.037 1.00 0.00 C ATOM 1009 O ILE A 169 20.005 -12.111 -6.791 1.00 0.00 O ATOM 1010 CB ILE A 169 20.341 -10.730 -9.512 1.00 0.00 C ATOM 1011 CG1 ILE A 169 21.168 -10.133 -10.653 1.00 0.00 C ATOM 1012 CG2 ILE A 169 18.909 -10.220 -9.566 1.00 0.00 C ATOM 1013 CD1 ILE A 169 21.676 -11.164 -11.635 1.00 0.00 C ATOM 0 H ILE A 169 22.467 -11.812 -8.560 1.00 0.00 H new ATOM 0 HA ILE A 169 21.077 -9.308 -8.067 1.00 0.00 H new ATOM 0 HB ILE A 169 20.325 -11.814 -9.628 1.00 0.00 H new ATOM 0 HG12 ILE A 169 20.561 -9.403 -11.187 1.00 0.00 H new ATOM 0 HG13 ILE A 169 22.017 -9.595 -10.232 1.00 0.00 H new ATOM 0 HG21 ILE A 169 18.471 -10.468 -10.533 1.00 0.00 H new ATOM 0 HG22 ILE A 169 18.326 -10.688 -8.773 1.00 0.00 H new ATOM 0 HG23 ILE A 169 18.903 -9.138 -9.431 1.00 0.00 H new ATOM 0 HD11 ILE A 169 22.253 -10.669 -12.416 1.00 0.00 H new ATOM 0 HD12 ILE A 169 22.310 -11.881 -11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 169 20.831 -11.686 -12.084 1.00 0.00 H new ATOM 1025 N PHE A 170 19.393 -9.989 -6.364 1.00 0.00 N ATOM 1026 CA PHE A 170 18.495 -10.351 -5.274 1.00 0.00 C ATOM 1027 C PHE A 170 17.108 -9.753 -5.491 1.00 0.00 C ATOM 1028 O PHE A 170 16.943 -8.533 -5.517 1.00 0.00 O ATOM 1029 CB PHE A 170 19.064 -9.876 -3.936 1.00 0.00 C ATOM 1030 CG PHE A 170 19.931 -10.897 -3.257 1.00 0.00 C ATOM 1031 CD1 PHE A 170 21.287 -10.968 -3.532 1.00 0.00 C ATOM 1032 CD2 PHE A 170 19.389 -11.787 -2.343 1.00 0.00 C ATOM 1033 CE1 PHE A 170 22.087 -11.907 -2.908 1.00 0.00 C ATOM 1034 CE2 PHE A 170 20.184 -12.727 -1.716 1.00 0.00 C ATOM 1035 CZ PHE A 170 21.534 -12.788 -1.999 1.00 0.00 C ATOM 0 H PHE A 170 19.442 -8.988 -6.555 1.00 0.00 H new ATOM 0 HA PHE A 170 18.405 -11.437 -5.257 1.00 0.00 H new ATOM 0 HB2 PHE A 170 19.645 -8.968 -4.099 1.00 0.00 H new ATOM 0 HB3 PHE A 170 18.240 -9.612 -3.273 1.00 0.00 H new ATOM 0 HD1 PHE A 170 21.724 -10.282 -4.242 1.00 0.00 H new ATOM 0 HD2 PHE A 170 18.333 -11.745 -2.118 1.00 0.00 H new ATOM 0 HE1 PHE A 170 23.143 -11.952 -3.131 1.00 0.00 H new ATOM 0 HE2 PHE A 170 19.750 -13.414 -1.005 1.00 0.00 H new ATOM 0 HZ PHE A 170 22.156 -13.523 -1.511 1.00 0.00 H new ATOM 1045 N CYS A 171 16.113 -10.620 -5.646 1.00 0.00 N ATOM 1046 CA CYS A 171 14.740 -10.180 -5.861 1.00 0.00 C ATOM 1047 C CYS A 171 13.813 -10.747 -4.790 1.00 0.00 C ATOM 1048 O CYS A 171 14.100 -11.783 -4.190 1.00 0.00 O ATOM 1049 CB CYS A 171 14.257 -10.608 -7.248 1.00 0.00 C ATOM 1050 SG CYS A 171 14.593 -12.354 -7.647 1.00 0.00 S ATOM 0 H CYS A 171 16.232 -11.633 -5.627 1.00 0.00 H new ATOM 0 HA CYS A 171 14.719 -9.092 -5.796 1.00 0.00 H new ATOM 0 HB2 CYS A 171 13.184 -10.431 -7.318 1.00 0.00 H new ATOM 0 HB3 CYS A 171 14.734 -9.977 -7.998 1.00 0.00 H new ATOM 1055 N CYS A 172 12.700 -10.060 -4.556 1.00 0.00 N ATOM 1056 CA CYS A 172 11.730 -10.494 -3.558 1.00 0.00 C ATOM 1057 C CYS A 172 10.326 -10.020 -3.922 1.00 0.00 C ATOM 1058 O CYS A 172 10.144 -9.248 -4.864 1.00 0.00 O ATOM 1059 CB CYS A 172 12.116 -9.962 -2.176 1.00 0.00 C ATOM 1060 SG CYS A 172 12.533 -8.189 -2.151 1.00 0.00 S ATOM 0 H CYS A 172 12.448 -9.201 -5.044 1.00 0.00 H new ATOM 0 HA CYS A 172 11.733 -11.584 -3.535 1.00 0.00 H new ATOM 0 HB2 CYS A 172 11.291 -10.140 -1.487 1.00 0.00 H new ATOM 0 HB3 CYS A 172 12.969 -10.530 -1.805 1.00 0.00 H new ATOM 1065 N PHE A 173 9.335 -10.488 -3.170 1.00 0.00 N ATOM 1066 CA PHE A 173 7.947 -10.114 -3.414 1.00 0.00 C ATOM 1067 C PHE A 173 7.302 -9.562 -2.146 1.00 0.00 C ATOM 1068 O PHE A 173 6.101 -9.720 -1.928 1.00 0.00 O ATOM 1069 CB PHE A 173 7.153 -11.319 -3.920 1.00 0.00 C ATOM 1070 CG PHE A 173 7.924 -12.188 -4.873 1.00 0.00 C ATOM 1071 CD1 PHE A 173 8.753 -13.192 -4.399 1.00 0.00 C ATOM 1072 CD2 PHE A 173 7.819 -12.001 -6.241 1.00 0.00 C ATOM 1073 CE1 PHE A 173 9.464 -13.992 -5.273 1.00 0.00 C ATOM 1074 CE2 PHE A 173 8.528 -12.799 -7.120 1.00 0.00 C ATOM 1075 CZ PHE A 173 9.351 -13.796 -6.635 1.00 0.00 C ATOM 0 H PHE A 173 9.468 -11.127 -2.386 1.00 0.00 H new ATOM 0 HA PHE A 173 7.936 -9.335 -4.176 1.00 0.00 H new ATOM 0 HB2 PHE A 173 6.837 -11.920 -3.067 1.00 0.00 H new ATOM 0 HB3 PHE A 173 6.248 -10.966 -4.414 1.00 0.00 H new ATOM 0 HD1 PHE A 173 8.844 -13.351 -3.335 1.00 0.00 H new ATOM 0 HD2 PHE A 173 7.176 -11.223 -6.626 1.00 0.00 H new ATOM 0 HE1 PHE A 173 10.108 -14.770 -4.891 1.00 0.00 H new ATOM 0 HE2 PHE A 173 8.438 -12.643 -8.185 1.00 0.00 H new ATOM 0 HZ PHE A 173 9.905 -14.421 -7.320 1.00 0.00 H new ATOM 1085 N ARG A 174 8.109 -8.914 -1.312 1.00 0.00 N ATOM 1086 CA ARG A 174 7.619 -8.340 -0.065 1.00 0.00 C ATOM 1087 C ARG A 174 8.170 -6.932 0.139 1.00 0.00 C ATOM 1088 O ARG A 174 9.348 -6.673 -0.109 1.00 0.00 O ATOM 1089 CB ARG A 174 8.008 -9.228 1.118 1.00 0.00 C ATOM 1090 CG ARG A 174 7.235 -10.536 1.178 1.00 0.00 C ATOM 1091 CD ARG A 174 8.152 -11.711 1.479 1.00 0.00 C ATOM 1092 NE ARG A 174 7.483 -12.993 1.275 1.00 0.00 N ATOM 1093 CZ ARG A 174 8.058 -14.167 1.508 1.00 0.00 C ATOM 1094 NH1 ARG A 174 9.307 -14.221 1.950 1.00 0.00 N ATOM 1095 NH2 ARG A 174 7.384 -15.291 1.299 1.00 0.00 N ATOM 0 H ARG A 174 9.106 -8.773 -1.478 1.00 0.00 H new ATOM 0 HA ARG A 174 6.532 -8.281 -0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 174 9.074 -9.448 1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 174 7.845 -8.677 2.044 1.00 0.00 H new ATOM 0 HG2 ARG A 174 6.464 -10.469 1.945 1.00 0.00 H new ATOM 0 HG3 ARG A 174 6.727 -10.704 0.228 1.00 0.00 H new ATOM 0 HD2 ARG A 174 9.033 -11.656 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 174 8.501 -11.644 2.509 1.00 0.00 H new ATOM 0 HE ARG A 174 6.521 -12.986 0.935 1.00 0.00 H new ATOM 0 HH11 ARG A 174 9.828 -13.359 2.112 1.00 0.00 H new ATOM 0 HH12 ARG A 174 9.746 -15.124 2.128 1.00 0.00 H new ATOM 0 HH21 ARG A 174 6.423 -15.254 0.959 1.00 0.00 H new ATOM 0 HH22 ARG A 174 7.827 -16.192 1.478 1.00 0.00 H new ATOM 1109 N ASP A 175 7.311 -6.026 0.592 1.00 0.00 N ATOM 1110 CA ASP A 175 7.711 -4.644 0.831 1.00 0.00 C ATOM 1111 C ASP A 175 8.821 -4.572 1.875 1.00 0.00 C ATOM 1112 O ASP A 175 8.652 -5.026 3.008 1.00 0.00 O ATOM 1113 CB ASP A 175 6.510 -3.814 1.286 1.00 0.00 C ATOM 1114 CG ASP A 175 5.272 -4.082 0.454 1.00 0.00 C ATOM 1115 OD1 ASP A 175 4.704 -5.187 0.576 1.00 0.00 O ATOM 1116 OD2 ASP A 175 4.871 -3.187 -0.319 1.00 0.00 O ATOM 0 H ASP A 175 6.332 -6.224 0.801 1.00 0.00 H new ATOM 0 HA ASP A 175 8.091 -4.235 -0.105 1.00 0.00 H new ATOM 0 HB2 ASP A 175 6.296 -4.034 2.332 1.00 0.00 H new ATOM 0 HB3 ASP A 175 6.761 -2.755 1.228 1.00 0.00 H new ATOM 1121 N LEU A 176 9.955 -4.001 1.487 1.00 0.00 N ATOM 1122 CA LEU A 176 11.094 -3.870 2.389 1.00 0.00 C ATOM 1123 C LEU A 176 11.645 -5.240 2.772 1.00 0.00 C ATOM 1124 O LEU A 176 12.131 -5.437 3.886 1.00 0.00 O ATOM 1125 CB LEU A 176 10.688 -3.102 3.648 1.00 0.00 C ATOM 1126 CG LEU A 176 9.745 -1.917 3.435 1.00 0.00 C ATOM 1127 CD1 LEU A 176 9.562 -1.141 4.730 1.00 0.00 C ATOM 1128 CD2 LEU A 176 10.272 -1.006 2.336 1.00 0.00 C ATOM 0 H LEU A 176 10.111 -3.621 0.553 1.00 0.00 H new ATOM 0 HA LEU A 176 11.875 -3.316 1.869 1.00 0.00 H new ATOM 0 HB2 LEU A 176 10.213 -3.800 4.338 1.00 0.00 H new ATOM 0 HB3 LEU A 176 11.593 -2.738 4.135 1.00 0.00 H new ATOM 0 HG LEU A 176 8.774 -2.302 3.125 1.00 0.00 H new ATOM 0 HD11 LEU A 176 8.888 -0.302 4.559 1.00 0.00 H new ATOM 0 HD12 LEU A 176 9.139 -1.797 5.491 1.00 0.00 H new ATOM 0 HD13 LEU A 176 10.528 -0.767 5.070 1.00 0.00 H new ATOM 0 HD21 LEU A 176 9.588 -0.169 2.198 1.00 0.00 H new ATOM 0 HD22 LEU A 176 11.256 -0.629 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 176 10.350 -1.567 1.405 1.00 0.00 H new ATOM 1140 N CYS A 177 11.568 -6.184 1.840 1.00 0.00 N ATOM 1141 CA CYS A 177 12.061 -7.536 2.078 1.00 0.00 C ATOM 1142 C CYS A 177 13.493 -7.509 2.604 1.00 0.00 C ATOM 1143 O CYS A 177 13.935 -8.438 3.277 1.00 0.00 O ATOM 1144 CB CYS A 177 11.994 -8.359 0.790 1.00 0.00 C ATOM 1145 SG CYS A 177 13.374 -8.055 -0.359 1.00 0.00 S ATOM 0 H CYS A 177 11.169 -6.038 0.913 1.00 0.00 H new ATOM 0 HA CYS A 177 11.425 -8.000 2.832 1.00 0.00 H new ATOM 0 HB2 CYS A 177 11.977 -9.418 1.048 1.00 0.00 H new ATOM 0 HB3 CYS A 177 11.056 -8.140 0.280 1.00 0.00 H new ATOM 1150 N ASN A 178 14.212 -6.435 2.291 1.00 0.00 N ATOM 1151 CA ASN A 178 15.594 -6.286 2.731 1.00 0.00 C ATOM 1152 C ASN A 178 15.921 -4.823 3.010 1.00 0.00 C ATOM 1153 O ASN A 178 15.769 -3.965 2.140 1.00 0.00 O ATOM 1154 CB ASN A 178 16.551 -6.842 1.674 1.00 0.00 C ATOM 1155 CG ASN A 178 16.152 -6.443 0.267 1.00 0.00 C ATOM 1156 OD1 ASN A 178 15.452 -5.450 0.066 1.00 0.00 O ATOM 1157 ND2 ASN A 178 16.596 -7.219 -0.716 1.00 0.00 N ATOM 0 H ASN A 178 13.860 -5.656 1.735 1.00 0.00 H new ATOM 0 HA ASN A 178 15.717 -6.850 3.655 1.00 0.00 H new ATOM 0 HB2 ASN A 178 17.560 -6.485 1.878 1.00 0.00 H new ATOM 0 HB3 ASN A 178 16.577 -7.929 1.747 1.00 0.00 H new ATOM 0 HD21 ASN A 178 16.359 -7.002 -1.684 1.00 0.00 H new ATOM 0 HD22 ASN A 178 17.174 -8.032 -0.503 1.00 0.00 H new