USER MOD reduce.3.24.130724 H: found=0, std=0, add=315, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 315 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 Single : A 1 THR N :NH3+ 151:sc= 0.099 (180deg=0) USER MOD Single : A 1 THR OG1 : rot 180:sc= 0.0834 USER MOD Single : A 2 THR OG1 : rot 44:sc= 1.25 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 72:sc= 1.22 USER MOD Single : A 12 ASN : amide:sc= -0.0154 K(o=-0.015,f=-1.1) USER MOD Single : A 14 ASN : amide:sc= 0.932 K(o=0.93,f=-4.5!) USER MOD Single : A 21 THR OG1 : rot 95:sc= 1.24 USER MOD Single : A 28 THR OG1 : rot 109:sc= 1.31 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 90:sc= 1.29 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 ASN : amide:sc= -0.0692 K(o=-0.069,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -1.984 -2.050 8.855 1.00 0.00 N ATOM 2 CA THR A 1 -1.189 -3.010 8.063 1.00 0.00 C ATOM 3 C THR A 1 -1.591 -2.934 6.594 1.00 0.00 C ATOM 4 O THR A 1 -2.775 -2.895 6.267 1.00 0.00 O ATOM 5 CB THR A 1 -1.400 -4.444 8.586 1.00 0.00 C ATOM 6 OG1 THR A 1 -1.304 -4.455 10.018 1.00 0.00 O ATOM 7 CG2 THR A 1 -0.368 -5.401 8.003 1.00 0.00 C ATOM 0 H1 THR A 1 -2.092 -2.407 9.826 1.00 0.00 H new ATOM 0 H2 THR A 1 -1.498 -1.131 8.876 1.00 0.00 H new ATOM 0 H3 THR A 1 -2.922 -1.935 8.422 1.00 0.00 H new ATOM 0 HA THR A 1 -0.135 -2.751 8.161 1.00 0.00 H new ATOM 0 HB THR A 1 -2.391 -4.775 8.276 1.00 0.00 H new ATOM 0 HG1 THR A 1 -1.440 -5.368 10.348 1.00 0.00 H new ATOM 0 HG21 THR A 1 -0.543 -6.405 8.391 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.454 -5.411 6.916 1.00 0.00 H new ATOM 0 HG23 THR A 1 0.633 -5.073 8.284 1.00 0.00 H new ATOM 17 N THR A 2 -0.606 -2.882 5.712 1.00 0.00 N ATOM 18 CA THR A 2 -0.864 -2.800 4.289 1.00 0.00 C ATOM 19 C THR A 2 0.091 -3.712 3.515 1.00 0.00 C ATOM 20 O THR A 2 1.124 -4.131 4.039 1.00 0.00 O ATOM 21 CB THR A 2 -0.715 -1.341 3.811 1.00 0.00 C ATOM 22 OG1 THR A 2 -1.158 -1.196 2.456 1.00 0.00 O ATOM 23 CG2 THR A 2 0.726 -0.877 3.928 1.00 0.00 C ATOM 0 H THR A 2 0.383 -2.895 5.961 1.00 0.00 H new ATOM 0 HA THR A 2 -1.884 -3.133 4.100 1.00 0.00 H new ATOM 0 HB THR A 2 -1.340 -0.721 4.454 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.001 -1.680 2.334 1.00 0.00 H new ATOM 0 HG21 THR A 2 0.805 0.155 3.585 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.045 -0.939 4.968 1.00 0.00 H new ATOM 0 HG23 THR A 2 1.364 -1.513 3.315 1.00 0.00 H new ATOM 31 N CYS A 3 -0.269 -4.029 2.280 1.00 0.00 N ATOM 32 CA CYS A 3 0.584 -4.839 1.421 1.00 0.00 C ATOM 33 C CYS A 3 0.475 -4.358 -0.023 1.00 0.00 C ATOM 34 O CYS A 3 -0.563 -3.831 -0.430 1.00 0.00 O ATOM 35 CB CYS A 3 0.208 -6.323 1.523 1.00 0.00 C ATOM 36 SG CYS A 3 -1.485 -6.723 0.991 1.00 0.00 S ATOM 0 H CYS A 3 -1.147 -3.738 1.849 1.00 0.00 H new ATOM 0 HA CYS A 3 1.616 -4.729 1.753 1.00 0.00 H new ATOM 0 HB2 CYS A 3 0.909 -6.902 0.922 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.334 -6.644 2.557 1.00 0.00 H new ATOM 41 N CYS A 4 1.546 -4.516 -0.792 1.00 0.00 N ATOM 42 CA CYS A 4 1.552 -4.062 -2.171 1.00 0.00 C ATOM 43 C CYS A 4 2.283 -5.072 -3.057 1.00 0.00 C ATOM 44 O CYS A 4 3.340 -5.582 -2.686 1.00 0.00 O ATOM 45 CB CYS A 4 2.201 -2.681 -2.262 1.00 0.00 C ATOM 46 SG CYS A 4 1.632 -1.696 -3.681 1.00 0.00 S ATOM 0 H CYS A 4 2.415 -4.953 -0.484 1.00 0.00 H new ATOM 0 HA CYS A 4 0.525 -3.982 -2.527 1.00 0.00 H new ATOM 0 HB2 CYS A 4 1.994 -2.131 -1.344 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.282 -2.801 -2.325 1.00 0.00 H new ATOM 51 N PRO A 5 1.714 -5.381 -4.237 1.00 0.00 N ATOM 52 CA PRO A 5 2.224 -6.438 -5.129 1.00 0.00 C ATOM 53 C PRO A 5 3.623 -6.181 -5.701 1.00 0.00 C ATOM 54 O PRO A 5 4.282 -7.117 -6.154 1.00 0.00 O ATOM 55 CB PRO A 5 1.200 -6.472 -6.269 1.00 0.00 C ATOM 56 CG PRO A 5 -0.007 -5.784 -5.739 1.00 0.00 C ATOM 57 CD PRO A 5 0.505 -4.746 -4.791 1.00 0.00 C ATOM 0 HA PRO A 5 2.334 -7.371 -4.576 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.583 -5.966 -7.155 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.971 -7.497 -6.561 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.584 -5.329 -6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.668 -6.487 -5.231 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.736 -3.811 -5.301 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.223 -4.514 -4.014 1.00 0.00 H new ATOM 65 N SER A 6 4.084 -4.936 -5.698 1.00 0.00 N ATOM 66 CA SER A 6 5.375 -4.629 -6.287 1.00 0.00 C ATOM 67 C SER A 6 6.169 -3.662 -5.418 1.00 0.00 C ATOM 68 O SER A 6 5.600 -2.895 -4.637 1.00 0.00 O ATOM 69 CB SER A 6 5.185 -4.054 -7.692 1.00 0.00 C ATOM 70 OG SER A 6 4.347 -2.911 -7.671 1.00 0.00 O ATOM 0 H SER A 6 3.590 -4.137 -5.301 1.00 0.00 H new ATOM 0 HA SER A 6 5.946 -5.555 -6.354 1.00 0.00 H new ATOM 0 HB2 SER A 6 6.155 -3.789 -8.113 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.752 -4.814 -8.343 1.00 0.00 H new ATOM 0 HG SER A 6 4.245 -2.564 -8.582 1.00 0.00 H new ATOM 76 N ILE A 7 7.484 -3.696 -5.581 1.00 0.00 N ATOM 77 CA ILE A 7 8.387 -2.851 -4.814 1.00 0.00 C ATOM 78 C ILE A 7 8.226 -1.393 -5.226 1.00 0.00 C ATOM 79 O ILE A 7 8.351 -0.482 -4.406 1.00 0.00 O ATOM 80 CB ILE A 7 9.858 -3.275 -5.019 1.00 0.00 C ATOM 81 CG1 ILE A 7 10.027 -4.770 -4.738 1.00 0.00 C ATOM 82 CG2 ILE A 7 10.780 -2.460 -4.120 1.00 0.00 C ATOM 83 CD1 ILE A 7 11.415 -5.296 -5.042 1.00 0.00 C ATOM 0 H ILE A 7 7.954 -4.309 -6.247 1.00 0.00 H new ATOM 0 HA ILE A 7 8.131 -2.966 -3.761 1.00 0.00 H new ATOM 0 HB ILE A 7 10.129 -3.083 -6.057 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.798 -4.961 -3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.300 -5.326 -5.330 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.812 -2.773 -4.278 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.681 -1.402 -4.361 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.508 -2.622 -3.077 1.00 0.00 H new ATOM 0 HD11 ILE A 7 11.457 -6.362 -4.818 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.641 -5.138 -6.096 1.00 0.00 H new ATOM 0 HD13 ILE A 7 12.146 -4.767 -4.431 1.00 0.00 H new ATOM 95 N VAL A 8 7.920 -1.183 -6.500 1.00 0.00 N ATOM 96 CA VAL A 8 7.784 0.164 -7.040 1.00 0.00 C ATOM 97 C VAL A 8 6.571 0.850 -6.430 1.00 0.00 C ATOM 98 O VAL A 8 6.672 1.950 -5.885 1.00 0.00 O ATOM 99 CB VAL A 8 7.650 0.149 -8.578 1.00 0.00 C ATOM 100 CG1 VAL A 8 7.486 1.559 -9.126 1.00 0.00 C ATOM 101 CG2 VAL A 8 8.856 -0.529 -9.209 1.00 0.00 C ATOM 0 H VAL A 8 7.761 -1.928 -7.179 1.00 0.00 H new ATOM 0 HA VAL A 8 8.688 0.716 -6.783 1.00 0.00 H new ATOM 0 HB VAL A 8 6.756 -0.419 -8.834 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.394 1.519 -10.211 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.590 2.012 -8.702 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.357 2.157 -8.858 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.746 -0.531 -10.293 1.00 0.00 H new ATOM 0 HG22 VAL A 8 9.762 0.013 -8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 8 8.926 -1.556 -8.849 1.00 0.00 H new ATOM 111 N ALA A 9 5.437 0.169 -6.489 1.00 0.00 N ATOM 112 CA ALA A 9 4.202 0.690 -5.929 1.00 0.00 C ATOM 113 C ALA A 9 4.330 0.878 -4.419 1.00 0.00 C ATOM 114 O ALA A 9 3.816 1.843 -3.856 1.00 0.00 O ATOM 115 CB ALA A 9 3.048 -0.242 -6.262 1.00 0.00 C ATOM 0 H ALA A 9 5.348 -0.750 -6.922 1.00 0.00 H new ATOM 0 HA ALA A 9 4.001 1.666 -6.371 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.126 0.155 -5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.946 -0.322 -7.344 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.244 -1.229 -5.842 1.00 0.00 H new ATOM 121 N ARG A 10 5.048 -0.035 -3.775 1.00 0.00 N ATOM 122 CA ARG A 10 5.259 0.029 -2.340 1.00 0.00 C ATOM 123 C ARG A 10 6.077 1.266 -1.970 1.00 0.00 C ATOM 124 O ARG A 10 5.815 1.926 -0.966 1.00 0.00 O ATOM 125 CB ARG A 10 5.960 -1.252 -1.886 1.00 0.00 C ATOM 126 CG ARG A 10 7.263 -1.024 -1.142 1.00 0.00 C ATOM 127 CD ARG A 10 8.202 -2.204 -1.290 1.00 0.00 C ATOM 128 NE ARG A 10 7.716 -3.401 -0.608 1.00 0.00 N ATOM 129 CZ ARG A 10 7.900 -3.649 0.684 1.00 0.00 C ATOM 130 NH1 ARG A 10 8.471 -2.741 1.465 1.00 0.00 N ATOM 131 NH2 ARG A 10 7.502 -4.805 1.192 1.00 0.00 N ATOM 0 H ARG A 10 5.495 -0.831 -4.230 1.00 0.00 H new ATOM 0 HA ARG A 10 4.299 0.111 -1.831 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.282 -1.814 -1.243 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.159 -1.872 -2.760 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.746 -0.123 -1.521 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.055 -0.854 -0.086 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.338 -2.424 -2.349 1.00 0.00 H new ATOM 0 HD3 ARG A 10 9.181 -1.936 -0.892 1.00 0.00 H new ATOM 0 HE ARG A 10 7.203 -4.090 -1.159 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.771 -1.848 1.074 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.610 -2.936 2.456 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.057 -5.499 0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.641 -5.001 2.183 1.00 0.00 H new ATOM 145 N SER A 11 7.068 1.571 -2.787 1.00 0.00 N ATOM 146 CA SER A 11 7.876 2.759 -2.580 1.00 0.00 C ATOM 147 C SER A 11 7.025 4.010 -2.775 1.00 0.00 C ATOM 148 O SER A 11 7.066 4.934 -1.965 1.00 0.00 O ATOM 149 CB SER A 11 9.064 2.763 -3.542 1.00 0.00 C ATOM 150 OG SER A 11 9.827 1.575 -3.404 1.00 0.00 O ATOM 0 H SER A 11 7.333 1.014 -3.599 1.00 0.00 H new ATOM 0 HA SER A 11 8.259 2.754 -1.559 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.707 2.854 -4.568 1.00 0.00 H new ATOM 0 HB3 SER A 11 9.694 3.630 -3.345 1.00 0.00 H new ATOM 0 HG SER A 11 9.330 0.821 -3.785 1.00 0.00 H new ATOM 156 N ASN A 12 6.220 4.006 -3.833 1.00 0.00 N ATOM 157 CA ASN A 12 5.387 5.155 -4.180 1.00 0.00 C ATOM 158 C ASN A 12 4.380 5.477 -3.080 1.00 0.00 C ATOM 159 O ASN A 12 4.214 6.640 -2.708 1.00 0.00 O ATOM 160 CB ASN A 12 4.650 4.920 -5.504 1.00 0.00 C ATOM 161 CG ASN A 12 5.585 4.914 -6.698 1.00 0.00 C ATOM 162 OD1 ASN A 12 6.625 5.571 -6.690 1.00 0.00 O ATOM 163 ND2 ASN A 12 5.221 4.178 -7.734 1.00 0.00 N ATOM 0 H ASN A 12 6.126 3.215 -4.469 1.00 0.00 H new ATOM 0 HA ASN A 12 6.055 6.009 -4.291 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.120 3.968 -5.457 1.00 0.00 H new ATOM 0 HB3 ASN A 12 3.898 5.697 -5.640 1.00 0.00 H new ATOM 0 HD21 ASN A 12 5.811 4.141 -8.566 1.00 0.00 H new ATOM 0 HD22 ASN A 12 4.351 3.647 -7.702 1.00 0.00 H new ATOM 170 N PHE A 13 3.713 4.456 -2.548 1.00 0.00 N ATOM 171 CA PHE A 13 2.674 4.684 -1.551 1.00 0.00 C ATOM 172 C PHE A 13 3.281 5.123 -0.218 1.00 0.00 C ATOM 173 O PHE A 13 2.671 5.892 0.527 1.00 0.00 O ATOM 174 CB PHE A 13 1.766 3.448 -1.395 1.00 0.00 C ATOM 175 CG PHE A 13 2.137 2.472 -0.315 1.00 0.00 C ATOM 176 CD1 PHE A 13 1.664 2.642 0.977 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.924 1.373 -0.594 1.00 0.00 C ATOM 178 CE1 PHE A 13 1.981 1.737 1.967 1.00 0.00 C ATOM 179 CE2 PHE A 13 3.241 0.460 0.391 1.00 0.00 C ATOM 180 CZ PHE A 13 2.772 0.642 1.673 1.00 0.00 C ATOM 0 H PHE A 13 3.871 3.477 -2.787 1.00 0.00 H new ATOM 0 HA PHE A 13 2.041 5.499 -1.902 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.750 3.794 -1.207 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.751 2.915 -2.345 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.041 3.493 1.210 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.297 1.226 -1.597 1.00 0.00 H new ATOM 0 HE1 PHE A 13 1.612 1.883 2.971 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.856 -0.396 0.157 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.022 -0.069 2.447 1.00 0.00 H new ATOM 190 N ASN A 14 4.486 4.647 0.072 1.00 0.00 N ATOM 191 CA ASN A 14 5.236 5.117 1.238 1.00 0.00 C ATOM 192 C ASN A 14 5.544 6.600 1.116 1.00 0.00 C ATOM 193 O ASN A 14 5.254 7.382 2.018 1.00 0.00 O ATOM 194 CB ASN A 14 6.546 4.344 1.408 1.00 0.00 C ATOM 195 CG ASN A 14 6.370 3.055 2.177 1.00 0.00 C ATOM 196 OD1 ASN A 14 5.307 2.441 2.151 1.00 0.00 O ATOM 197 ND2 ASN A 14 7.407 2.637 2.880 1.00 0.00 N ATOM 0 H ASN A 14 4.967 3.937 -0.481 1.00 0.00 H new ATOM 0 HA ASN A 14 4.611 4.946 2.114 1.00 0.00 H new ATOM 0 HB2 ASN A 14 6.961 4.121 0.425 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.270 4.974 1.925 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.340 1.778 3.425 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.274 3.174 2.878 1.00 0.00 H new ATOM 204 N VAL A 15 6.107 6.985 -0.022 1.00 0.00 N ATOM 205 CA VAL A 15 6.463 8.374 -0.274 1.00 0.00 C ATOM 206 C VAL A 15 5.206 9.239 -0.417 1.00 0.00 C ATOM 207 O VAL A 15 5.280 10.466 -0.408 1.00 0.00 O ATOM 208 CB VAL A 15 7.351 8.495 -1.538 1.00 0.00 C ATOM 209 CG1 VAL A 15 7.833 9.923 -1.747 1.00 0.00 C ATOM 210 CG2 VAL A 15 8.542 7.556 -1.441 1.00 0.00 C ATOM 0 H VAL A 15 6.328 6.350 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 15 7.034 8.736 0.581 1.00 0.00 H new ATOM 0 HB VAL A 15 6.741 8.214 -2.397 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.453 9.970 -2.642 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.974 10.583 -1.865 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.418 10.240 -0.884 1.00 0.00 H new ATOM 0 HG21 VAL A 15 9.156 7.653 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.137 7.812 -0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.189 6.529 -1.353 1.00 0.00 H new ATOM 220 N CYS A 16 4.040 8.608 -0.517 1.00 0.00 N ATOM 221 CA CYS A 16 2.805 9.352 -0.572 1.00 0.00 C ATOM 222 C CYS A 16 2.377 9.750 0.835 1.00 0.00 C ATOM 223 O CYS A 16 1.721 10.764 1.031 1.00 0.00 O ATOM 224 CB CYS A 16 1.721 8.531 -1.265 1.00 0.00 C ATOM 225 SG CYS A 16 0.043 9.193 -1.050 1.00 0.00 S ATOM 0 H CYS A 16 3.933 7.595 -0.561 1.00 0.00 H new ATOM 0 HA CYS A 16 2.960 10.261 -1.154 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.946 8.477 -2.330 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.750 7.511 -0.881 1.00 0.00 H new ATOM 230 N ARG A 17 2.803 8.970 1.821 1.00 0.00 N ATOM 231 CA ARG A 17 2.505 9.261 3.217 1.00 0.00 C ATOM 232 C ARG A 17 3.373 10.406 3.705 1.00 0.00 C ATOM 233 O ARG A 17 3.030 11.115 4.652 1.00 0.00 O ATOM 234 CB ARG A 17 2.759 8.033 4.087 1.00 0.00 C ATOM 235 CG ARG A 17 1.790 6.898 3.840 1.00 0.00 C ATOM 236 CD ARG A 17 2.001 5.773 4.835 1.00 0.00 C ATOM 237 NE ARG A 17 2.912 4.734 4.350 1.00 0.00 N ATOM 238 CZ ARG A 17 3.094 3.575 4.987 1.00 0.00 C ATOM 239 NH1 ARG A 17 2.523 3.382 6.168 1.00 0.00 N ATOM 240 NH2 ARG A 17 3.860 2.623 4.467 1.00 0.00 N ATOM 0 H ARG A 17 3.359 8.127 1.678 1.00 0.00 H new ATOM 0 HA ARG A 17 1.454 9.539 3.291 1.00 0.00 H new ATOM 0 HB2 ARG A 17 3.774 7.677 3.909 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.703 8.325 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 17 0.767 7.267 3.915 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.919 6.520 2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.395 6.187 5.763 1.00 0.00 H new ATOM 0 HD3 ARG A 17 1.038 5.321 5.071 1.00 0.00 H new ATOM 0 HE ARG A 17 3.430 4.903 3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.950 4.116 6.583 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.657 2.499 6.661 1.00 0.00 H new ATOM 0 HH21 ARG A 17 4.319 2.772 3.568 1.00 0.00 H new ATOM 0 HH22 ARG A 17 3.989 1.743 4.966 1.00 0.00 H new ATOM 254 N LEU A 18 4.498 10.567 3.032 1.00 0.00 N ATOM 255 CA LEU A 18 5.496 11.568 3.381 1.00 0.00 C ATOM 256 C LEU A 18 4.926 13.005 3.418 1.00 0.00 C ATOM 257 O LEU A 18 5.094 13.694 4.422 1.00 0.00 O ATOM 258 CB LEU A 18 6.680 11.453 2.414 1.00 0.00 C ATOM 259 CG LEU A 18 7.776 12.489 2.595 1.00 0.00 C ATOM 260 CD1 LEU A 18 8.402 12.387 3.980 1.00 0.00 C ATOM 261 CD2 LEU A 18 8.831 12.335 1.511 1.00 0.00 C ATOM 0 H LEU A 18 4.749 10.003 2.220 1.00 0.00 H new ATOM 0 HA LEU A 18 5.834 11.368 4.398 1.00 0.00 H new ATOM 0 HB2 LEU A 18 7.120 10.462 2.522 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.302 11.524 1.394 1.00 0.00 H new ATOM 0 HG LEU A 18 7.330 13.479 2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.183 13.140 4.082 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.637 12.553 4.738 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.834 11.395 4.112 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.610 13.084 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.270 11.339 1.569 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.370 12.472 0.533 1.00 0.00 H new ATOM 273 N PRO A 19 4.235 13.488 2.356 1.00 0.00 N ATOM 274 CA PRO A 19 3.678 14.854 2.332 1.00 0.00 C ATOM 275 C PRO A 19 2.484 15.040 3.271 1.00 0.00 C ATOM 276 O PRO A 19 1.950 16.142 3.397 1.00 0.00 O ATOM 277 CB PRO A 19 3.232 15.051 0.876 1.00 0.00 C ATOM 278 CG PRO A 19 3.832 13.918 0.116 1.00 0.00 C ATOM 279 CD PRO A 19 3.960 12.792 1.093 1.00 0.00 C ATOM 0 HA PRO A 19 4.419 15.577 2.672 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.145 15.045 0.795 1.00 0.00 H new ATOM 0 HB3 PRO A 19 3.576 16.009 0.487 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.201 13.635 -0.726 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.804 14.193 -0.293 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.047 12.199 1.148 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.767 12.111 0.822 1.00 0.00 H new ATOM 287 N GLY A 20 2.064 13.967 3.926 1.00 0.00 N ATOM 288 CA GLY A 20 0.944 14.065 4.842 1.00 0.00 C ATOM 289 C GLY A 20 -0.342 13.522 4.253 1.00 0.00 C ATOM 290 O GLY A 20 -1.432 13.985 4.585 1.00 0.00 O ATOM 0 H GLY A 20 2.474 13.037 3.841 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.179 13.520 5.756 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.799 15.108 5.122 1.00 0.00 H new ATOM 294 N THR A 21 -0.214 12.546 3.373 1.00 0.00 N ATOM 295 CA THR A 21 -1.354 11.893 2.794 1.00 0.00 C ATOM 296 C THR A 21 -1.646 10.626 3.572 1.00 0.00 C ATOM 297 O THR A 21 -0.732 9.911 3.988 1.00 0.00 O ATOM 298 CB THR A 21 -1.099 11.512 1.334 1.00 0.00 C ATOM 299 OG1 THR A 21 -0.179 12.444 0.745 1.00 0.00 O ATOM 300 CG2 THR A 21 -2.387 11.509 0.524 1.00 0.00 C ATOM 0 H THR A 21 0.684 12.191 3.046 1.00 0.00 H new ATOM 0 HA THR A 21 -2.196 12.584 2.835 1.00 0.00 H new ATOM 0 HB THR A 21 -0.681 10.506 1.321 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.732 12.087 0.804 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.167 11.234 -0.508 1.00 0.00 H new ATOM 0 HG22 THR A 21 -3.084 10.788 0.951 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.834 12.503 0.547 1.00 0.00 H new ATOM 308 N PRO A 22 -2.915 10.364 3.798 1.00 0.00 N ATOM 309 CA PRO A 22 -3.365 9.149 4.446 1.00 0.00 C ATOM 310 C PRO A 22 -3.079 7.929 3.582 1.00 0.00 C ATOM 311 O PRO A 22 -3.317 7.945 2.372 1.00 0.00 O ATOM 312 CB PRO A 22 -4.874 9.362 4.614 1.00 0.00 C ATOM 313 CG PRO A 22 -5.236 10.420 3.626 1.00 0.00 C ATOM 314 CD PRO A 22 -4.006 11.257 3.436 1.00 0.00 C ATOM 0 HA PRO A 22 -2.857 8.965 5.393 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.425 8.441 4.423 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.116 9.673 5.630 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.555 9.978 2.682 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.066 11.025 3.991 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.914 11.604 2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.024 12.143 4.070 1.00 0.00 H new ATOM 322 N GLU A 23 -2.505 6.907 4.206 1.00 0.00 N ATOM 323 CA GLU A 23 -2.349 5.581 3.594 1.00 0.00 C ATOM 324 C GLU A 23 -3.589 5.216 2.788 1.00 0.00 C ATOM 325 O GLU A 23 -3.482 4.637 1.713 1.00 0.00 O ATOM 326 CB GLU A 23 -2.137 4.486 4.653 1.00 0.00 C ATOM 327 CG GLU A 23 -0.957 4.699 5.587 1.00 0.00 C ATOM 328 CD GLU A 23 -1.208 5.757 6.642 1.00 0.00 C ATOM 329 OE1 GLU A 23 -2.382 5.955 7.023 1.00 0.00 O ATOM 330 OE2 GLU A 23 -0.234 6.393 7.090 1.00 0.00 O ATOM 0 H GLU A 23 -2.132 6.969 5.153 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.472 5.636 2.948 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -3.043 4.405 5.253 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.006 3.532 4.143 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.717 3.756 6.078 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.084 4.983 4.999 1.00 0.00 H new ATOM 337 N ALA A 24 -4.759 5.559 3.326 1.00 0.00 N ATOM 338 CA ALA A 24 -6.026 5.332 2.647 1.00 0.00 C ATOM 339 C ALA A 24 -5.977 5.829 1.208 1.00 0.00 C ATOM 340 O ALA A 24 -6.266 5.076 0.278 1.00 0.00 O ATOM 341 CB ALA A 24 -7.155 6.013 3.405 1.00 0.00 C ATOM 0 H ALA A 24 -4.851 6.000 4.241 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.211 4.258 2.624 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -8.098 5.837 2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -7.213 5.606 4.415 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.964 7.085 3.456 1.00 0.00 H new ATOM 347 N LEU A 25 -5.585 7.087 1.021 1.00 0.00 N ATOM 348 CA LEU A 25 -5.489 7.656 -0.312 1.00 0.00 C ATOM 349 C LEU A 25 -4.369 6.975 -1.097 1.00 0.00 C ATOM 350 O LEU A 25 -4.559 6.575 -2.247 1.00 0.00 O ATOM 351 CB LEU A 25 -5.229 9.163 -0.219 1.00 0.00 C ATOM 352 CG LEU A 25 -5.864 10.008 -1.328 1.00 0.00 C ATOM 353 CD1 LEU A 25 -5.704 11.489 -1.028 1.00 0.00 C ATOM 354 CD2 LEU A 25 -5.264 9.680 -2.688 1.00 0.00 C ATOM 0 H LEU A 25 -5.331 7.726 1.775 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.431 7.491 -0.835 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.598 9.520 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.152 9.330 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.926 9.767 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.161 12.073 -1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.192 11.723 -0.082 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.644 11.734 -0.960 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.736 10.297 -3.452 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.193 9.880 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.433 8.627 -2.916 1.00 0.00 H new ATOM 366 N CYS A 26 -3.218 6.814 -0.457 1.00 0.00 N ATOM 367 CA CYS A 26 -2.033 6.297 -1.131 1.00 0.00 C ATOM 368 C CYS A 26 -2.233 4.853 -1.594 1.00 0.00 C ATOM 369 O CYS A 26 -1.834 4.496 -2.701 1.00 0.00 O ATOM 370 CB CYS A 26 -0.803 6.437 -0.224 1.00 0.00 C ATOM 371 SG CYS A 26 -0.655 8.096 0.504 1.00 0.00 S ATOM 0 H CYS A 26 -3.079 7.034 0.529 1.00 0.00 H new ATOM 0 HA CYS A 26 -1.863 6.892 -2.028 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.859 5.698 0.575 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.095 6.216 -0.800 1.00 0.00 H new ATOM 376 N ALA A 27 -2.879 4.036 -0.772 1.00 0.00 N ATOM 377 CA ALA A 27 -3.134 2.638 -1.116 1.00 0.00 C ATOM 378 C ALA A 27 -4.096 2.528 -2.279 1.00 0.00 C ATOM 379 O ALA A 27 -3.847 1.824 -3.257 1.00 0.00 O ATOM 380 CB ALA A 27 -3.665 1.883 0.094 1.00 0.00 C ATOM 0 H ALA A 27 -3.238 4.316 0.141 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.190 2.187 -1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.850 0.844 -0.178 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.931 1.922 0.898 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.595 2.341 0.429 1.00 0.00 H new ATOM 386 N THR A 28 -5.158 3.278 -2.170 1.00 0.00 N ATOM 387 CA THR A 28 -6.256 3.245 -3.131 1.00 0.00 C ATOM 388 C THR A 28 -5.829 3.752 -4.513 1.00 0.00 C ATOM 389 O THR A 28 -6.404 3.368 -5.531 1.00 0.00 O ATOM 390 CB THR A 28 -7.433 4.095 -2.616 1.00 0.00 C ATOM 391 OG1 THR A 28 -7.785 3.669 -1.291 1.00 0.00 O ATOM 392 CG2 THR A 28 -8.650 3.973 -3.521 1.00 0.00 C ATOM 0 H THR A 28 -5.299 3.941 -1.408 1.00 0.00 H new ATOM 0 HA THR A 28 -6.563 2.204 -3.236 1.00 0.00 H new ATOM 0 HB THR A 28 -7.117 5.138 -2.609 1.00 0.00 H new ATOM 0 HG1 THR A 28 -7.519 4.356 -0.645 1.00 0.00 H new ATOM 0 HG21 THR A 28 -9.460 4.586 -3.126 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.393 4.313 -4.524 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.970 2.932 -3.562 1.00 0.00 H new ATOM 400 N TYR A 29 -4.799 4.584 -4.547 1.00 0.00 N ATOM 401 CA TYR A 29 -4.359 5.196 -5.788 1.00 0.00 C ATOM 402 C TYR A 29 -3.291 4.334 -6.417 1.00 0.00 C ATOM 403 O TYR A 29 -3.306 4.046 -7.613 1.00 0.00 O ATOM 404 CB TYR A 29 -3.813 6.603 -5.515 1.00 0.00 C ATOM 405 CG TYR A 29 -2.962 7.164 -6.634 1.00 0.00 C ATOM 406 CD1 TYR A 29 -3.519 7.478 -7.862 1.00 0.00 C ATOM 407 CD2 TYR A 29 -1.599 7.373 -6.458 1.00 0.00 C ATOM 408 CE1 TYR A 29 -2.744 7.987 -8.889 1.00 0.00 C ATOM 409 CE2 TYR A 29 -0.818 7.878 -7.476 1.00 0.00 C ATOM 410 CZ TYR A 29 -1.393 8.185 -8.689 1.00 0.00 C ATOM 411 OH TYR A 29 -0.612 8.687 -9.705 1.00 0.00 O ATOM 0 H TYR A 29 -4.253 4.850 -3.728 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.203 5.279 -6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -4.650 7.278 -5.337 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -3.222 6.580 -4.600 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -4.576 7.323 -8.021 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -1.144 7.136 -5.508 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -3.193 8.228 -9.841 1.00 0.00 H new ATOM 0 HE2 TYR A 29 0.240 8.032 -7.323 1.00 0.00 H new ATOM 0 HH TYR A 29 0.315 8.765 -9.397 1.00 0.00 H new ATOM 421 N THR A 30 -2.377 3.921 -5.574 1.00 0.00 N ATOM 422 CA THR A 30 -1.229 3.149 -5.981 1.00 0.00 C ATOM 423 C THR A 30 -1.611 1.727 -6.406 1.00 0.00 C ATOM 424 O THR A 30 -1.079 1.200 -7.385 1.00 0.00 O ATOM 425 CB THR A 30 -0.220 3.105 -4.828 1.00 0.00 C ATOM 426 OG1 THR A 30 0.125 4.439 -4.436 1.00 0.00 O ATOM 427 CG2 THR A 30 1.023 2.364 -5.229 1.00 0.00 C ATOM 0 H THR A 30 -2.410 4.114 -4.573 1.00 0.00 H new ATOM 0 HA THR A 30 -0.784 3.633 -6.851 1.00 0.00 H new ATOM 0 HB THR A 30 -0.681 2.581 -3.991 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.494 4.746 -3.741 1.00 0.00 H new ATOM 0 HG21 THR A 30 1.722 2.347 -4.393 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.764 1.342 -5.506 1.00 0.00 H new ATOM 0 HG23 THR A 30 1.486 2.864 -6.080 1.00 0.00 H new ATOM 435 N GLY A 31 -2.537 1.114 -5.682 1.00 0.00 N ATOM 436 CA GLY A 31 -2.929 -0.246 -5.998 1.00 0.00 C ATOM 437 C GLY A 31 -2.558 -1.217 -4.898 1.00 0.00 C ATOM 438 O GLY A 31 -2.733 -2.427 -5.038 1.00 0.00 O ATOM 0 H GLY A 31 -3.021 1.530 -4.887 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -4.005 -0.283 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.451 -0.553 -6.928 1.00 0.00 H new ATOM 442 N CYS A 32 -2.027 -0.681 -3.807 1.00 0.00 N ATOM 443 CA CYS A 32 -1.728 -1.475 -2.629 1.00 0.00 C ATOM 444 C CYS A 32 -2.991 -1.592 -1.788 1.00 0.00 C ATOM 445 O CYS A 32 -3.876 -0.744 -1.886 1.00 0.00 O ATOM 446 CB CYS A 32 -0.614 -0.811 -1.817 1.00 0.00 C ATOM 447 SG CYS A 32 0.721 -0.093 -2.832 1.00 0.00 S ATOM 0 H CYS A 32 -1.794 0.308 -3.716 1.00 0.00 H new ATOM 0 HA CYS A 32 -1.390 -2.467 -2.927 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -1.048 -0.025 -1.199 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -0.184 -1.549 -1.139 1.00 0.00 H new ATOM 452 N ILE A 33 -3.098 -2.625 -0.971 1.00 0.00 N ATOM 453 CA ILE A 33 -4.309 -2.812 -0.190 1.00 0.00 C ATOM 454 C ILE A 33 -4.017 -2.770 1.301 1.00 0.00 C ATOM 455 O ILE A 33 -2.902 -3.065 1.737 1.00 0.00 O ATOM 456 CB ILE A 33 -5.033 -4.133 -0.539 1.00 0.00 C ATOM 457 CG1 ILE A 33 -4.152 -5.341 -0.205 1.00 0.00 C ATOM 458 CG2 ILE A 33 -5.432 -4.149 -2.009 1.00 0.00 C ATOM 459 CD1 ILE A 33 -4.821 -6.674 -0.469 1.00 0.00 C ATOM 0 H ILE A 33 -2.378 -3.334 -0.832 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.970 -1.984 -0.448 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.938 -4.197 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -3.234 -5.283 -0.790 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.864 -5.290 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.940 -5.086 -2.238 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -6.101 -3.313 -2.213 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.540 -4.059 -2.629 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.137 -7.482 -0.209 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.724 -6.754 0.136 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -5.084 -6.746 -1.524 1.00 0.00 H new ATOM 471 N ILE A 34 -5.019 -2.386 2.074 1.00 0.00 N ATOM 472 CA ILE A 34 -4.886 -2.297 3.518 1.00 0.00 C ATOM 473 C ILE A 34 -5.590 -3.475 4.180 1.00 0.00 C ATOM 474 O ILE A 34 -6.705 -3.840 3.803 1.00 0.00 O ATOM 475 CB ILE A 34 -5.450 -0.961 4.055 1.00 0.00 C ATOM 476 CG1 ILE A 34 -4.683 0.210 3.428 1.00 0.00 C ATOM 477 CG2 ILE A 34 -5.366 -0.907 5.577 1.00 0.00 C ATOM 478 CD1 ILE A 34 -5.150 1.572 3.891 1.00 0.00 C ATOM 0 H ILE A 34 -5.941 -2.129 1.721 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.825 -2.331 3.763 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.502 -0.887 3.779 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.624 0.103 3.660 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.779 0.154 2.344 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.769 0.042 5.930 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -5.944 -1.727 6.003 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.325 -0.997 5.887 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.558 2.345 3.402 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.201 1.703 3.634 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.028 1.651 4.971 1.00 0.00 H new ATOM 490 N ILE A 35 -4.935 -4.068 5.164 1.00 0.00 N ATOM 491 CA ILE A 35 -5.422 -5.275 5.798 1.00 0.00 C ATOM 492 C ILE A 35 -5.383 -5.145 7.315 1.00 0.00 C ATOM 493 O ILE A 35 -4.372 -4.745 7.893 1.00 0.00 O ATOM 494 CB ILE A 35 -4.596 -6.506 5.361 1.00 0.00 C ATOM 495 CG1 ILE A 35 -3.099 -6.200 5.466 1.00 0.00 C ATOM 496 CG2 ILE A 35 -4.966 -6.919 3.941 1.00 0.00 C ATOM 497 CD1 ILE A 35 -2.203 -7.368 5.124 1.00 0.00 C ATOM 0 H ILE A 35 -4.053 -3.725 5.543 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.455 -5.416 5.481 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.826 -7.338 6.027 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.862 -5.368 4.803 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.877 -5.871 6.481 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.375 -7.787 3.649 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -6.026 -7.171 3.900 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -4.762 -6.095 3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.160 -7.068 5.223 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.409 -8.195 5.803 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -2.393 -7.685 4.099 1.00 0.00 H new ATOM 509 N PRO A 36 -6.503 -5.455 7.974 1.00 0.00 N ATOM 510 CA PRO A 36 -6.590 -5.458 9.436 1.00 0.00 C ATOM 511 C PRO A 36 -5.680 -6.514 10.055 1.00 0.00 C ATOM 512 O PRO A 36 -5.198 -6.357 11.177 1.00 0.00 O ATOM 513 CB PRO A 36 -8.058 -5.797 9.721 1.00 0.00 C ATOM 514 CG PRO A 36 -8.780 -5.564 8.436 1.00 0.00 C ATOM 515 CD PRO A 36 -7.782 -5.798 7.340 1.00 0.00 C ATOM 0 HA PRO A 36 -6.275 -4.505 9.861 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -8.165 -6.831 10.049 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -8.459 -5.167 10.516 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -9.629 -6.241 8.339 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.175 -4.549 8.391 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.797 -6.832 6.996 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.982 -5.170 6.472 1.00 0.00 H new ATOM 523 N GLY A 37 -5.450 -7.586 9.311 1.00 0.00 N ATOM 524 CA GLY A 37 -4.612 -8.663 9.786 1.00 0.00 C ATOM 525 C GLY A 37 -3.758 -9.243 8.685 1.00 0.00 C ATOM 526 O GLY A 37 -3.195 -8.512 7.875 1.00 0.00 O ATOM 0 H GLY A 37 -5.834 -7.728 8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.971 -8.297 10.587 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -5.237 -9.448 10.212 1.00 0.00 H new ATOM 530 N ALA A 38 -3.694 -10.560 8.635 1.00 0.00 N ATOM 531 CA ALA A 38 -2.900 -11.262 7.637 1.00 0.00 C ATOM 532 C ALA A 38 -3.768 -11.639 6.440 1.00 0.00 C ATOM 533 O ALA A 38 -3.640 -12.724 5.872 1.00 0.00 O ATOM 534 CB ALA A 38 -2.267 -12.499 8.256 1.00 0.00 C ATOM 0 H ALA A 38 -4.188 -11.175 9.282 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.105 -10.604 7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -1.674 -13.020 7.504 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.623 -12.203 9.084 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.049 -13.162 8.624 1.00 0.00 H new ATOM 540 N THR A 39 -4.632 -10.713 6.049 1.00 0.00 N ATOM 541 CA THR A 39 -5.593 -10.937 4.975 1.00 0.00 C ATOM 542 C THR A 39 -4.961 -10.766 3.587 1.00 0.00 C ATOM 543 O THR A 39 -5.654 -10.540 2.594 1.00 0.00 O ATOM 544 CB THR A 39 -6.760 -9.950 5.113 1.00 0.00 C ATOM 545 OG1 THR A 39 -7.010 -9.682 6.502 1.00 0.00 O ATOM 546 CG2 THR A 39 -8.003 -10.525 4.472 1.00 0.00 C ATOM 0 H THR A 39 -4.688 -9.784 6.467 1.00 0.00 H new ATOM 0 HA THR A 39 -5.944 -11.965 5.063 1.00 0.00 H new ATOM 0 HB THR A 39 -6.498 -9.020 4.609 1.00 0.00 H new ATOM 0 HG1 THR A 39 -7.755 -9.050 6.584 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.826 -9.818 4.575 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.814 -10.711 3.415 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.266 -11.462 4.964 1.00 0.00 H new ATOM 554 N CYS A 40 -3.659 -10.918 3.521 1.00 0.00 N ATOM 555 CA CYS A 40 -2.920 -10.681 2.291 1.00 0.00 C ATOM 556 C CYS A 40 -1.901 -11.792 2.067 1.00 0.00 C ATOM 557 O CYS A 40 -1.077 -12.069 2.940 1.00 0.00 O ATOM 558 CB CYS A 40 -2.217 -9.320 2.367 1.00 0.00 C ATOM 559 SG CYS A 40 -1.477 -8.747 0.804 1.00 0.00 S ATOM 0 H CYS A 40 -3.080 -11.207 4.309 1.00 0.00 H new ATOM 0 HA CYS A 40 -3.615 -10.676 1.451 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -2.937 -8.575 2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -1.434 -9.374 3.124 1.00 0.00 H new ATOM 564 N PRO A 41 -1.961 -12.462 0.905 1.00 0.00 N ATOM 565 CA PRO A 41 -1.025 -13.536 0.562 1.00 0.00 C ATOM 566 C PRO A 41 0.388 -13.019 0.301 1.00 0.00 C ATOM 567 O PRO A 41 0.599 -11.826 0.068 1.00 0.00 O ATOM 568 CB PRO A 41 -1.621 -14.137 -0.711 1.00 0.00 C ATOM 569 CG PRO A 41 -2.411 -13.033 -1.315 1.00 0.00 C ATOM 570 CD PRO A 41 -2.951 -12.231 -0.164 1.00 0.00 C ATOM 0 HA PRO A 41 -0.916 -14.253 1.376 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.840 -14.482 -1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -2.251 -14.997 -0.485 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -1.788 -12.416 -1.962 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -3.220 -13.424 -1.931 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -3.033 -11.173 -0.414 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -3.945 -12.567 0.129 1.00 0.00 H new ATOM 578 N GLY A 42 1.344 -13.936 0.299 1.00 0.00 N ATOM 579 CA GLY A 42 2.746 -13.568 0.214 1.00 0.00 C ATOM 580 C GLY A 42 3.171 -13.034 -1.144 1.00 0.00 C ATOM 581 O GLY A 42 4.322 -12.634 -1.314 1.00 0.00 O ATOM 0 H GLY A 42 1.173 -14.940 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.958 -12.813 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.354 -14.440 0.455 1.00 0.00 H new ATOM 585 N ASP A 43 2.259 -13.001 -2.110 1.00 0.00 N ATOM 586 CA ASP A 43 2.602 -12.540 -3.447 1.00 0.00 C ATOM 587 C ASP A 43 2.373 -11.044 -3.534 1.00 0.00 C ATOM 588 O ASP A 43 3.006 -10.339 -4.320 1.00 0.00 O ATOM 589 CB ASP A 43 1.764 -13.268 -4.498 1.00 0.00 C ATOM 590 CG ASP A 43 2.159 -12.908 -5.916 1.00 0.00 C ATOM 591 OD1 ASP A 43 3.254 -13.318 -6.356 1.00 0.00 O ATOM 592 OD2 ASP A 43 1.372 -12.227 -6.603 1.00 0.00 O ATOM 0 H ASP A 43 1.286 -13.285 -1.993 1.00 0.00 H new ATOM 0 HA ASP A 43 3.652 -12.758 -3.642 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.869 -14.344 -4.358 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.711 -13.028 -4.347 1.00 0.00 H new ATOM 597 N TYR A 44 1.478 -10.566 -2.682 1.00 0.00 N ATOM 598 CA TYR A 44 1.146 -9.155 -2.624 1.00 0.00 C ATOM 599 C TYR A 44 1.861 -8.519 -1.445 1.00 0.00 C ATOM 600 O TYR A 44 1.622 -7.370 -1.091 1.00 0.00 O ATOM 601 CB TYR A 44 -0.366 -8.972 -2.510 1.00 0.00 C ATOM 602 CG TYR A 44 -1.130 -9.718 -3.579 1.00 0.00 C ATOM 603 CD1 TYR A 44 -0.628 -9.819 -4.866 1.00 0.00 C ATOM 604 CD2 TYR A 44 -2.344 -10.327 -3.300 1.00 0.00 C ATOM 605 CE1 TYR A 44 -1.314 -10.502 -5.849 1.00 0.00 C ATOM 606 CE2 TYR A 44 -3.039 -11.013 -4.277 1.00 0.00 C ATOM 607 CZ TYR A 44 -2.519 -11.097 -5.551 1.00 0.00 C ATOM 608 OH TYR A 44 -3.206 -11.782 -6.527 1.00 0.00 O ATOM 0 H TYR A 44 0.965 -11.144 -2.016 1.00 0.00 H new ATOM 0 HA TYR A 44 1.474 -8.665 -3.541 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.696 -9.314 -1.529 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.604 -7.910 -2.574 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.318 -9.355 -5.104 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -2.753 -10.264 -2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -0.908 -10.570 -6.847 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -3.984 -11.481 -4.044 1.00 0.00 H new ATOM 0 HH TYR A 44 -4.036 -12.142 -6.151 1.00 0.00 H new ATOM 618 N ALA A 45 2.744 -9.296 -0.846 1.00 0.00 N ATOM 619 CA ALA A 45 3.582 -8.825 0.239 1.00 0.00 C ATOM 620 C ALA A 45 5.023 -8.739 -0.241 1.00 0.00 C ATOM 621 O ALA A 45 5.942 -9.239 0.406 1.00 0.00 O ATOM 622 CB ALA A 45 3.462 -9.755 1.438 1.00 0.00 C ATOM 0 H ALA A 45 2.900 -10.272 -1.099 1.00 0.00 H new ATOM 0 HA ALA A 45 3.255 -7.833 0.551 1.00 0.00 H new ATOM 0 HB1 ALA A 45 4.096 -9.390 2.246 1.00 0.00 H new ATOM 0 HB2 ALA A 45 2.426 -9.783 1.774 1.00 0.00 H new ATOM 0 HB3 ALA A 45 3.778 -10.758 1.153 1.00 0.00 H new ATOM 628 N ASN A 46 5.202 -8.123 -1.400 1.00 0.00 N ATOM 629 CA ASN A 46 6.517 -7.989 -2.010 1.00 0.00 C ATOM 630 C ASN A 46 7.250 -6.808 -1.390 1.00 0.00 C ATOM 631 O ASN A 46 8.145 -7.034 -0.548 1.00 0.00 O ATOM 632 CB ASN A 46 6.384 -7.796 -3.524 1.00 0.00 C ATOM 633 CG ASN A 46 7.684 -8.038 -4.279 1.00 0.00 C ATOM 634 OD1 ASN A 46 8.782 -7.864 -3.748 1.00 0.00 O ATOM 635 ND2 ASN A 46 7.565 -8.447 -5.533 1.00 0.00 N ATOM 636 OXT ASN A 46 6.897 -5.656 -1.712 1.00 0.00 O ATOM 0 H ASN A 46 4.446 -7.704 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 46 7.088 -8.899 -1.828 1.00 0.00 H new ATOM 0 HB2 ASN A 46 5.620 -8.474 -3.904 1.00 0.00 H new ATOM 0 HB3 ASN A 46 6.039 -6.782 -3.725 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.399 -8.629 -6.092 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.639 -8.581 -5.940 1.00 0.00 H new TER 643 ASN A 46