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+ -157:sc= 1.24 (180deg=1.02) USER MOD Single : A 1 THR OG1 : rot 77:sc= 0.527 USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 23:sc= 0.563 USER MOD Single : A 12 ASN : amide:sc=-0.00919 K(o=-0.0092,f=-1.2) USER MOD Single : A 14 ASN : amide:sc=-0.00786 K(o=-0.0079,f=-1.5) USER MOD Single : A 21 THR OG1 : rot 103:sc= -0.754! USER MOD Single : A 28 THR OG1 : rot 75:sc= 0.979 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 79:sc= 0.582 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= -3.37! C(o=-3.4!,f=-9.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 -3.104 -4.293 8.353 1.00 0.00 N ATOM 2 CA THR A 1 -1.995 -5.032 7.725 1.00 0.00 C ATOM 3 C THR A 1 -1.476 -4.245 6.524 1.00 0.00 C ATOM 4 O THR A 1 -2.244 -3.537 5.863 1.00 0.00 O ATOM 5 CB THR A 1 -2.462 -6.434 7.293 1.00 0.00 C ATOM 6 OG1 THR A 1 -3.471 -6.901 8.201 1.00 0.00 O ATOM 7 CG2 THR A 1 -1.310 -7.425 7.284 1.00 0.00 C ATOM 0 H1 THR A 1 -3.201 -4.590 9.345 1.00 0.00 H new ATOM 0 H2 THR A 1 -2.907 -3.273 8.315 1.00 0.00 H new ATOM 0 H3 THR A 1 -3.988 -4.494 7.843 1.00 0.00 H new ATOM 0 HA THR A 1 -1.188 -5.152 8.447 1.00 0.00 H new ATOM 0 HB THR A 1 -2.862 -6.360 6.282 1.00 0.00 H new ATOM 0 HG1 THR A 1 -4.322 -6.458 8.000 1.00 0.00 H new ATOM 0 HG21 THR A 1 -1.675 -8.404 6.975 1.00 0.00 H new ATOM 0 HG22 THR A 1 -0.544 -7.086 6.586 1.00 0.00 H new ATOM 0 HG23 THR A 1 -0.884 -7.496 8.285 1.00 0.00 H new ATOM 17 N THR A 2 -0.182 -4.348 6.257 1.00 0.00 N ATOM 18 CA THR A 2 0.459 -3.512 5.258 1.00 0.00 C ATOM 19 C THR A 2 1.104 -4.351 4.152 1.00 0.00 C ATOM 20 O THR A 2 2.107 -5.021 4.392 1.00 0.00 O ATOM 21 CB THR A 2 1.547 -2.667 5.947 1.00 0.00 C ATOM 22 OG1 THR A 2 1.429 -2.812 7.373 1.00 0.00 O ATOM 23 CG2 THR A 2 1.438 -1.193 5.579 1.00 0.00 C ATOM 0 H THR A 2 0.445 -5.005 6.721 1.00 0.00 H new ATOM 0 HA THR A 2 -0.300 -2.876 4.802 1.00 0.00 H new ATOM 0 HB THR A 2 2.518 -3.026 5.605 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.121 -2.277 7.815 1.00 0.00 H new ATOM 0 HG21 THR A 2 2.223 -0.632 6.086 1.00 0.00 H new ATOM 0 HG22 THR A 2 1.548 -1.078 4.501 1.00 0.00 H new ATOM 0 HG23 THR A 2 0.464 -0.812 5.887 1.00 0.00 H new ATOM 31 N CYS A 3 0.545 -4.306 2.936 1.00 0.00 N ATOM 32 CA CYS A 3 1.092 -5.083 1.821 1.00 0.00 C ATOM 33 C CYS A 3 0.839 -4.401 0.477 1.00 0.00 C ATOM 34 O CYS A 3 -0.082 -3.593 0.336 1.00 0.00 O ATOM 35 CB CYS A 3 0.509 -6.500 1.816 1.00 0.00 C ATOM 36 SG CYS A 3 1.236 -7.604 3.069 1.00 0.00 S ATOM 0 H CYS A 3 -0.275 -3.747 2.703 1.00 0.00 H new ATOM 0 HA CYS A 3 2.171 -5.144 1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -0.567 -6.440 1.980 1.00 0.00 H new ATOM 0 HB3 CYS A 3 0.657 -6.939 0.830 1.00 0.00 H new ATOM 41 N CYS A 4 1.674 -4.726 -0.508 1.00 0.00 N ATOM 42 CA CYS A 4 1.570 -4.148 -1.837 1.00 0.00 C ATOM 43 C CYS A 4 1.955 -5.207 -2.875 1.00 0.00 C ATOM 44 O CYS A 4 2.835 -6.025 -2.617 1.00 0.00 O ATOM 45 CB CYS A 4 2.483 -2.922 -1.946 1.00 0.00 C ATOM 46 SG CYS A 4 2.121 -1.846 -3.367 1.00 0.00 S ATOM 0 H CYS A 4 2.437 -5.395 -0.404 1.00 0.00 H new ATOM 0 HA CYS A 4 0.545 -3.826 -2.022 1.00 0.00 H new ATOM 0 HB2 CYS A 4 2.397 -2.337 -1.030 1.00 0.00 H new ATOM 0 HB3 CYS A 4 3.518 -3.258 -2.014 1.00 0.00 H new ATOM 51 N PRO A 5 1.278 -5.231 -4.041 1.00 0.00 N ATOM 52 CA PRO A 5 1.517 -6.239 -5.092 1.00 0.00 C ATOM 53 C PRO A 5 2.956 -6.265 -5.623 1.00 0.00 C ATOM 54 O PRO A 5 3.429 -7.308 -6.072 1.00 0.00 O ATOM 55 CB PRO A 5 0.555 -5.825 -6.209 1.00 0.00 C ATOM 56 CG PRO A 5 -0.502 -5.030 -5.529 1.00 0.00 C ATOM 57 CD PRO A 5 0.195 -4.302 -4.419 1.00 0.00 C ATOM 0 HA PRO A 5 1.358 -7.244 -4.702 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.065 -5.235 -6.971 1.00 0.00 H new ATOM 0 HB3 PRO A 5 0.133 -6.696 -6.710 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.974 -4.332 -6.221 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.290 -5.676 -5.141 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.586 -3.340 -4.750 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -0.476 -4.103 -3.583 1.00 0.00 H new ATOM 65 N SER A 6 3.646 -5.131 -5.568 1.00 0.00 N ATOM 66 CA SER A 6 4.989 -5.037 -6.116 1.00 0.00 C ATOM 67 C SER A 6 5.865 -4.163 -5.226 1.00 0.00 C ATOM 68 O SER A 6 5.399 -3.152 -4.691 1.00 0.00 O ATOM 69 CB SER A 6 4.938 -4.439 -7.526 1.00 0.00 C ATOM 70 OG SER A 6 4.038 -5.154 -8.358 1.00 0.00 O ATOM 0 H SER A 6 3.297 -4.268 -5.151 1.00 0.00 H new ATOM 0 HA SER A 6 5.415 -6.039 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.632 -3.394 -7.469 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.935 -4.456 -7.966 1.00 0.00 H new ATOM 0 HG SER A 6 4.025 -4.749 -9.250 1.00 0.00 H new ATOM 76 N ILE A 7 7.129 -4.553 -5.076 1.00 0.00 N ATOM 77 CA ILE A 7 8.106 -3.762 -4.332 1.00 0.00 C ATOM 78 C ILE A 7 8.160 -2.328 -4.855 1.00 0.00 C ATOM 79 O ILE A 7 8.226 -1.378 -4.075 1.00 0.00 O ATOM 80 CB ILE A 7 9.524 -4.384 -4.423 1.00 0.00 C ATOM 81 CG1 ILE A 7 9.526 -5.797 -3.840 1.00 0.00 C ATOM 82 CG2 ILE A 7 10.544 -3.514 -3.698 1.00 0.00 C ATOM 83 CD1 ILE A 7 10.829 -6.543 -4.036 1.00 0.00 C ATOM 0 H ILE A 7 7.503 -5.419 -5.464 1.00 0.00 H new ATOM 0 HA ILE A 7 7.785 -3.758 -3.290 1.00 0.00 H new ATOM 0 HB ILE A 7 9.804 -4.438 -5.475 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.309 -5.739 -2.773 1.00 0.00 H new ATOM 0 HG13 ILE A 7 8.719 -6.369 -4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 7 11.531 -3.970 -3.775 1.00 0.00 H new ATOM 0 HG22 ILE A 7 10.565 -2.523 -4.152 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.266 -3.426 -2.648 1.00 0.00 H new ATOM 0 HD11 ILE A 7 10.749 -7.536 -3.595 1.00 0.00 H new ATOM 0 HD12 ILE A 7 11.039 -6.635 -5.102 1.00 0.00 H new ATOM 0 HD13 ILE A 7 11.638 -5.995 -3.553 1.00 0.00 H new ATOM 95 N VAL A 8 8.091 -2.178 -6.176 1.00 0.00 N ATOM 96 CA VAL A 8 8.211 -0.865 -6.803 1.00 0.00 C ATOM 97 C VAL A 8 7.008 0.006 -6.453 1.00 0.00 C ATOM 98 O VAL A 8 7.132 1.218 -6.268 1.00 0.00 O ATOM 99 CB VAL A 8 8.363 -0.970 -8.343 1.00 0.00 C ATOM 100 CG1 VAL A 8 7.129 -1.596 -8.984 1.00 0.00 C ATOM 101 CG2 VAL A 8 8.654 0.396 -8.950 1.00 0.00 C ATOM 0 H VAL A 8 7.953 -2.948 -6.831 1.00 0.00 H new ATOM 0 HA VAL A 8 9.116 -0.401 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 8 9.210 -1.625 -8.549 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.270 -1.654 -10.063 1.00 0.00 H new ATOM 0 HG12 VAL A 8 6.980 -2.598 -8.583 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.255 -0.983 -8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 8 8.757 0.299 -10.031 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.834 1.077 -8.723 1.00 0.00 H new ATOM 0 HG23 VAL A 8 9.580 0.791 -8.531 1.00 0.00 H new ATOM 111 N ALA A 9 5.849 -0.621 -6.325 1.00 0.00 N ATOM 112 CA ALA A 9 4.642 0.086 -5.948 1.00 0.00 C ATOM 113 C ALA A 9 4.686 0.425 -4.468 1.00 0.00 C ATOM 114 O ALA A 9 4.249 1.491 -4.046 1.00 0.00 O ATOM 115 CB ALA A 9 3.413 -0.755 -6.268 1.00 0.00 C ATOM 0 H ALA A 9 5.722 -1.621 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 9 4.579 1.012 -6.519 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.514 -0.210 -5.979 1.00 0.00 H new ATOM 0 HB2 ALA A 9 3.383 -0.963 -7.338 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.461 -1.694 -5.717 1.00 0.00 H new ATOM 121 N ARG A 10 5.254 -0.489 -3.696 1.00 0.00 N ATOM 122 CA ARG A 10 5.374 -0.337 -2.265 1.00 0.00 C ATOM 123 C ARG A 10 6.272 0.854 -1.929 1.00 0.00 C ATOM 124 O ARG A 10 5.967 1.642 -1.033 1.00 0.00 O ATOM 125 CB ARG A 10 5.930 -1.647 -1.706 1.00 0.00 C ATOM 126 CG ARG A 10 6.904 -1.484 -0.565 1.00 0.00 C ATOM 127 CD ARG A 10 8.018 -2.507 -0.664 1.00 0.00 C ATOM 128 NE ARG A 10 7.595 -3.860 -0.299 1.00 0.00 N ATOM 129 CZ ARG A 10 7.723 -4.376 0.926 1.00 0.00 C ATOM 130 NH1 ARG A 10 8.104 -3.605 1.942 1.00 0.00 N ATOM 131 NH2 ARG A 10 7.459 -5.655 1.134 1.00 0.00 N ATOM 0 H ARG A 10 5.645 -1.361 -4.053 1.00 0.00 H new ATOM 0 HA ARG A 10 4.404 -0.132 -1.812 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.097 -2.265 -1.369 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.424 -2.189 -2.512 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.324 -0.478 -0.579 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.382 -1.598 0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.403 -2.517 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.840 -2.203 -0.015 1.00 0.00 H new ATOM 0 HE ARG A 10 7.177 -4.444 -1.024 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.299 -2.616 1.786 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.201 -4.003 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.158 -6.246 0.359 1.00 0.00 H new ATOM 0 HH22 ARG A 10 7.556 -6.050 2.069 1.00 0.00 H new ATOM 145 N SER A 11 7.368 0.986 -2.664 1.00 0.00 N ATOM 146 CA SER A 11 8.285 2.098 -2.464 1.00 0.00 C ATOM 147 C SER A 11 7.639 3.422 -2.872 1.00 0.00 C ATOM 148 O SER A 11 7.835 4.442 -2.213 1.00 0.00 O ATOM 149 CB SER A 11 9.583 1.862 -3.243 1.00 0.00 C ATOM 150 OG SER A 11 9.319 1.395 -4.555 1.00 0.00 O ATOM 0 H SER A 11 7.643 0.338 -3.402 1.00 0.00 H new ATOM 0 HA SER A 11 8.524 2.159 -1.402 1.00 0.00 H new ATOM 0 HB2 SER A 11 10.153 2.790 -3.293 1.00 0.00 H new ATOM 0 HB3 SER A 11 10.200 1.136 -2.714 1.00 0.00 H new ATOM 0 HG SER A 11 8.413 1.659 -4.820 1.00 0.00 H new ATOM 156 N ASN A 12 6.848 3.392 -3.946 1.00 0.00 N ATOM 157 CA ASN A 12 6.157 4.586 -4.428 1.00 0.00 C ATOM 158 C ASN A 12 5.105 5.039 -3.429 1.00 0.00 C ATOM 159 O ASN A 12 4.846 6.233 -3.270 1.00 0.00 O ATOM 160 CB ASN A 12 5.488 4.321 -5.775 1.00 0.00 C ATOM 161 CG ASN A 12 6.484 4.189 -6.909 1.00 0.00 C ATOM 162 OD1 ASN A 12 7.576 4.754 -6.863 1.00 0.00 O ATOM 163 ND2 ASN A 12 6.107 3.450 -7.941 1.00 0.00 N ATOM 0 H ASN A 12 6.671 2.553 -4.498 1.00 0.00 H new ATOM 0 HA ASN A 12 6.903 5.372 -4.547 1.00 0.00 H new ATOM 0 HB2 ASN A 12 4.897 3.408 -5.709 1.00 0.00 H new ATOM 0 HB3 ASN A 12 4.796 5.133 -5.998 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.731 3.332 -8.739 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.192 2.999 -7.938 1.00 0.00 H new ATOM 170 N PHE A 13 4.495 4.067 -2.770 1.00 0.00 N ATOM 171 CA PHE A 13 3.508 4.329 -1.738 1.00 0.00 C ATOM 172 C PHE A 13 4.102 5.169 -0.609 1.00 0.00 C ATOM 173 O PHE A 13 3.556 6.215 -0.248 1.00 0.00 O ATOM 174 CB PHE A 13 2.972 3.003 -1.194 1.00 0.00 C ATOM 175 CG PHE A 13 2.130 3.153 0.034 1.00 0.00 C ATOM 176 CD1 PHE A 13 0.897 3.776 -0.027 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.581 2.682 1.255 1.00 0.00 C ATOM 178 CE1 PHE A 13 0.125 3.920 1.107 1.00 0.00 C ATOM 179 CE2 PHE A 13 1.815 2.824 2.392 1.00 0.00 C ATOM 180 CZ PHE A 13 0.587 3.446 2.318 1.00 0.00 C ATOM 0 H PHE A 13 4.671 3.076 -2.936 1.00 0.00 H new ATOM 0 HA PHE A 13 2.687 4.897 -2.176 1.00 0.00 H new ATOM 0 HB2 PHE A 13 2.383 2.514 -1.970 1.00 0.00 H new ATOM 0 HB3 PHE A 13 3.812 2.346 -0.970 1.00 0.00 H new ATOM 0 HD1 PHE A 13 0.535 4.154 -0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 13 3.544 2.198 1.317 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -0.839 4.403 1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 13 2.176 2.449 3.338 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.014 3.562 3.208 1.00 0.00 H new ATOM 190 N ASN A 14 5.221 4.707 -0.061 1.00 0.00 N ATOM 191 CA ASN A 14 5.913 5.419 1.018 1.00 0.00 C ATOM 192 C ASN A 14 6.242 6.852 0.617 1.00 0.00 C ATOM 193 O ASN A 14 6.267 7.750 1.462 1.00 0.00 O ATOM 194 CB ASN A 14 7.204 4.693 1.418 1.00 0.00 C ATOM 195 CG ASN A 14 6.955 3.388 2.157 1.00 0.00 C ATOM 196 OD1 ASN A 14 5.931 2.737 1.980 1.00 0.00 O ATOM 197 ND2 ASN A 14 7.907 2.990 2.985 1.00 0.00 N ATOM 0 H ASN A 14 5.673 3.838 -0.345 1.00 0.00 H new ATOM 0 HA ASN A 14 5.236 5.440 1.872 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.791 4.489 0.522 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.803 5.351 2.048 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.802 2.116 3.501 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.746 3.557 3.108 1.00 0.00 H new ATOM 204 N VAL A 15 6.475 7.064 -0.673 1.00 0.00 N ATOM 205 CA VAL A 15 6.798 8.389 -1.188 1.00 0.00 C ATOM 206 C VAL A 15 5.635 9.369 -0.986 1.00 0.00 C ATOM 207 O VAL A 15 5.855 10.547 -0.715 1.00 0.00 O ATOM 208 CB VAL A 15 7.181 8.334 -2.687 1.00 0.00 C ATOM 209 CG1 VAL A 15 7.447 9.729 -3.232 1.00 0.00 C ATOM 210 CG2 VAL A 15 8.401 7.450 -2.907 1.00 0.00 C ATOM 0 H VAL A 15 6.446 6.333 -1.383 1.00 0.00 H new ATOM 0 HA VAL A 15 7.657 8.748 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 15 6.337 7.903 -3.226 1.00 0.00 H new ATOM 0 HG11 VAL A 15 7.714 9.663 -4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.551 10.340 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 15 8.267 10.186 -2.678 1.00 0.00 H new ATOM 0 HG21 VAL A 15 8.648 7.429 -3.968 1.00 0.00 H new ATOM 0 HG22 VAL A 15 9.246 7.849 -2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 15 8.184 6.438 -2.565 1.00 0.00 H new ATOM 220 N CYS A 16 4.398 8.886 -1.075 1.00 0.00 N ATOM 221 CA CYS A 16 3.242 9.768 -0.995 1.00 0.00 C ATOM 222 C CYS A 16 2.927 10.137 0.458 1.00 0.00 C ATOM 223 O CYS A 16 2.312 11.166 0.727 1.00 0.00 O ATOM 224 CB CYS A 16 2.036 9.109 -1.657 1.00 0.00 C ATOM 225 SG CYS A 16 0.546 10.147 -1.692 1.00 0.00 S ATOM 0 H CYS A 16 4.174 7.899 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 16 3.476 10.690 -1.527 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.300 8.837 -2.679 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.808 8.183 -1.130 1.00 0.00 H new ATOM 230 N ARG A 17 3.361 9.302 1.392 1.00 0.00 N ATOM 231 CA ARG A 17 3.174 9.580 2.814 1.00 0.00 C ATOM 232 C ARG A 17 4.127 10.667 3.309 1.00 0.00 C ATOM 233 O ARG A 17 3.893 11.267 4.358 1.00 0.00 O ATOM 234 CB ARG A 17 3.382 8.311 3.638 1.00 0.00 C ATOM 235 CG ARG A 17 2.147 7.435 3.731 1.00 0.00 C ATOM 236 CD ARG A 17 2.481 6.065 4.293 1.00 0.00 C ATOM 237 NE ARG A 17 3.450 6.124 5.388 1.00 0.00 N ATOM 238 CZ ARG A 17 3.390 5.377 6.493 1.00 0.00 C ATOM 239 NH1 ARG A 17 2.320 4.638 6.761 1.00 0.00 N ATOM 240 NH2 ARG A 17 4.391 5.402 7.356 1.00 0.00 N ATOM 0 H ARG A 17 3.845 8.426 1.193 1.00 0.00 H new ATOM 0 HA ARG A 17 2.152 9.937 2.940 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.195 7.732 3.199 1.00 0.00 H new ATOM 0 HB3 ARG A 17 3.696 8.589 4.644 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.403 7.918 4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 17 1.701 7.326 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 17 1.567 5.590 4.648 1.00 0.00 H new ATOM 0 HD3 ARG A 17 2.878 5.437 3.496 1.00 0.00 H new ATOM 0 HE ARG A 17 4.225 6.781 5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.528 4.635 6.118 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.290 4.073 7.610 1.00 0.00 H new ATOM 0 HH21 ARG A 17 5.205 5.990 7.176 1.00 0.00 H new ATOM 0 HH22 ARG A 17 4.350 4.833 8.202 1.00 0.00 H new ATOM 254 N LEU A 18 5.188 10.921 2.551 1.00 0.00 N ATOM 255 CA LEU A 18 6.198 11.879 2.928 1.00 0.00 C ATOM 256 C LEU A 18 5.648 13.312 3.012 1.00 0.00 C ATOM 257 O LEU A 18 5.812 13.969 4.038 1.00 0.00 O ATOM 258 CB LEU A 18 7.343 11.789 1.933 1.00 0.00 C ATOM 259 CG LEU A 18 8.095 10.462 1.940 1.00 0.00 C ATOM 260 CD1 LEU A 18 9.169 10.449 0.865 1.00 0.00 C ATOM 261 CD2 LEU A 18 8.703 10.214 3.307 1.00 0.00 C ATOM 0 H LEU A 18 5.364 10.462 1.657 1.00 0.00 H new ATOM 0 HA LEU A 18 6.552 11.636 3.930 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.949 11.962 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.050 12.592 2.141 1.00 0.00 H new ATOM 0 HG LEU A 18 7.389 9.660 1.722 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.694 9.494 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 18 8.707 10.587 -0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 18 9.878 11.257 1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.237 9.264 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.397 11.019 3.548 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.912 10.180 4.056 1.00 0.00 H new ATOM 273 N PRO A 19 4.982 13.826 1.949 1.00 0.00 N ATOM 274 CA PRO A 19 4.437 15.189 1.956 1.00 0.00 C ATOM 275 C PRO A 19 3.196 15.336 2.835 1.00 0.00 C ATOM 276 O PRO A 19 2.600 16.410 2.904 1.00 0.00 O ATOM 277 CB PRO A 19 4.093 15.443 0.487 1.00 0.00 C ATOM 278 CG PRO A 19 3.820 14.095 -0.074 1.00 0.00 C ATOM 279 CD PRO A 19 4.725 13.149 0.661 1.00 0.00 C ATOM 0 HA PRO A 19 5.149 15.901 2.373 1.00 0.00 H new ATOM 0 HB2 PRO A 19 3.225 16.095 0.390 1.00 0.00 H new ATOM 0 HB3 PRO A 19 4.917 15.930 -0.034 1.00 0.00 H new ATOM 0 HG2 PRO A 19 2.774 13.820 0.063 1.00 0.00 H new ATOM 0 HG3 PRO A 19 4.018 14.071 -1.146 1.00 0.00 H new ATOM 0 HD2 PRO A 19 4.252 12.178 0.808 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.650 12.973 0.111 1.00 0.00 H new ATOM 287 N GLY A 20 2.812 14.264 3.512 1.00 0.00 N ATOM 288 CA GLY A 20 1.668 14.331 4.396 1.00 0.00 C ATOM 289 C GLY A 20 0.367 14.030 3.683 1.00 0.00 C ATOM 290 O GLY A 20 -0.663 14.638 3.970 1.00 0.00 O ATOM 0 H GLY A 20 3.270 13.354 3.465 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.803 13.623 5.214 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.614 15.325 4.840 1.00 0.00 H new ATOM 294 N THR A 21 0.416 13.100 2.747 1.00 0.00 N ATOM 295 CA THR A 21 -0.756 12.664 2.041 1.00 0.00 C ATOM 296 C THR A 21 -1.270 11.391 2.685 1.00 0.00 C ATOM 297 O THR A 21 -0.484 10.537 3.112 1.00 0.00 O ATOM 298 CB THR A 21 -0.432 12.379 0.570 1.00 0.00 C ATOM 299 OG1 THR A 21 0.642 13.225 0.141 1.00 0.00 O ATOM 300 CG2 THR A 21 -1.639 12.620 -0.322 1.00 0.00 C ATOM 0 H THR A 21 1.275 12.630 2.461 1.00 0.00 H new ATOM 0 HA THR A 21 -1.508 13.452 2.088 1.00 0.00 H new ATOM 0 HB THR A 21 -0.145 11.331 0.488 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.473 12.707 0.108 1.00 0.00 H new ATOM 0 HG21 THR A 21 -1.374 12.408 -1.358 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.455 11.965 -0.015 1.00 0.00 H new ATOM 0 HG23 THR A 21 -1.955 13.659 -0.233 1.00 0.00 H new ATOM 308 N PRO A 22 -2.584 11.261 2.785 1.00 0.00 N ATOM 309 CA PRO A 22 -3.218 10.090 3.348 1.00 0.00 C ATOM 310 C PRO A 22 -2.876 8.856 2.551 1.00 0.00 C ATOM 311 O PRO A 22 -3.177 8.767 1.360 1.00 0.00 O ATOM 312 CB PRO A 22 -4.716 10.384 3.257 1.00 0.00 C ATOM 313 CG PRO A 22 -4.842 11.519 2.302 1.00 0.00 C ATOM 314 CD PRO A 22 -3.541 12.262 2.357 1.00 0.00 C ATOM 0 HA PRO A 22 -2.890 9.898 4.369 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -5.266 9.512 2.904 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -5.125 10.645 4.233 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.041 11.158 1.293 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.673 12.169 2.578 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.277 12.677 1.384 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.587 13.096 3.057 1.00 0.00 H new ATOM 322 N GLU A 23 -2.214 7.926 3.209 1.00 0.00 N ATOM 323 CA GLU A 23 -1.892 6.640 2.618 1.00 0.00 C ATOM 324 C GLU A 23 -3.133 5.987 2.035 1.00 0.00 C ATOM 325 O GLU A 23 -3.047 5.249 1.057 1.00 0.00 O ATOM 326 CB GLU A 23 -1.248 5.724 3.653 1.00 0.00 C ATOM 327 CG GLU A 23 -2.059 5.555 4.922 1.00 0.00 C ATOM 328 CD GLU A 23 -1.432 4.557 5.870 1.00 0.00 C ATOM 329 OE1 GLU A 23 -0.259 4.755 6.249 1.00 0.00 O ATOM 330 OE2 GLU A 23 -2.100 3.566 6.217 1.00 0.00 O ATOM 0 H GLU A 23 -1.884 8.039 4.167 1.00 0.00 H new ATOM 0 HA GLU A 23 -1.181 6.807 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.087 4.744 3.204 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.266 6.121 3.912 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.154 6.519 5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.067 5.228 4.667 1.00 0.00 H new ATOM 337 N ALA A 24 -4.285 6.278 2.623 1.00 0.00 N ATOM 338 CA ALA A 24 -5.548 5.803 2.088 1.00 0.00 C ATOM 339 C ALA A 24 -5.773 6.349 0.680 1.00 0.00 C ATOM 340 O ALA A 24 -6.203 5.614 -0.209 1.00 0.00 O ATOM 341 CB ALA A 24 -6.699 6.191 3.004 1.00 0.00 C ATOM 0 H ALA A 24 -4.368 6.840 3.470 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.509 4.715 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -7.637 5.826 2.585 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -6.545 5.749 3.989 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.741 7.276 3.096 1.00 0.00 H new ATOM 347 N LEU A 25 -5.455 7.628 0.461 1.00 0.00 N ATOM 348 CA LEU A 25 -5.626 8.227 -0.842 1.00 0.00 C ATOM 349 C LEU A 25 -4.500 7.798 -1.777 1.00 0.00 C ATOM 350 O LEU A 25 -4.733 7.507 -2.951 1.00 0.00 O ATOM 351 CB LEU A 25 -5.670 9.749 -0.691 1.00 0.00 C ATOM 352 CG LEU A 25 -5.640 10.532 -1.989 1.00 0.00 C ATOM 353 CD1 LEU A 25 -6.866 10.225 -2.836 1.00 0.00 C ATOM 354 CD2 LEU A 25 -5.542 12.021 -1.706 1.00 0.00 C ATOM 0 H LEU A 25 -5.081 8.256 1.172 1.00 0.00 H new ATOM 0 HA LEU A 25 -6.564 7.889 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -6.575 10.017 -0.145 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.824 10.061 -0.078 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.758 10.228 -2.552 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.822 10.799 -3.762 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -6.890 9.161 -3.069 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.766 10.496 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.521 12.570 -2.648 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.405 12.338 -1.120 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.629 12.226 -1.147 1.00 0.00 H new ATOM 366 N CYS A 26 -3.288 7.725 -1.245 1.00 0.00 N ATOM 367 CA CYS A 26 -2.134 7.333 -2.042 1.00 0.00 C ATOM 368 C CYS A 26 -2.266 5.893 -2.525 1.00 0.00 C ATOM 369 O CYS A 26 -1.963 5.599 -3.670 1.00 0.00 O ATOM 370 CB CYS A 26 -0.838 7.517 -1.247 1.00 0.00 C ATOM 371 SG CYS A 26 -0.705 9.148 -0.458 1.00 0.00 S ATOM 0 H CYS A 26 -3.079 7.931 -0.268 1.00 0.00 H new ATOM 0 HA CYS A 26 -2.096 7.981 -2.917 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.777 6.744 -0.481 1.00 0.00 H new ATOM 0 HB3 CYS A 26 0.012 7.373 -1.913 1.00 0.00 H new ATOM 376 N ALA A 27 -2.771 5.011 -1.670 1.00 0.00 N ATOM 377 CA ALA A 27 -2.917 3.600 -2.023 1.00 0.00 C ATOM 378 C ALA A 27 -3.915 3.407 -3.147 1.00 0.00 C ATOM 379 O ALA A 27 -3.865 2.429 -3.892 1.00 0.00 O ATOM 380 CB ALA A 27 -3.325 2.792 -0.811 1.00 0.00 C ATOM 0 H ALA A 27 -3.086 5.245 -0.729 1.00 0.00 H new ATOM 0 HA ALA A 27 -1.948 3.245 -2.375 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.429 1.744 -1.091 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.563 2.887 -0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.277 3.162 -0.430 1.00 0.00 H new ATOM 386 N THR A 28 -4.792 4.370 -3.270 1.00 0.00 N ATOM 387 CA THR A 28 -5.829 4.358 -4.290 1.00 0.00 C ATOM 388 C THR A 28 -5.233 4.705 -5.659 1.00 0.00 C ATOM 389 O THR A 28 -5.784 4.354 -6.700 1.00 0.00 O ATOM 390 CB THR A 28 -6.945 5.361 -3.928 1.00 0.00 C ATOM 391 OG1 THR A 28 -7.456 5.070 -2.617 1.00 0.00 O ATOM 392 CG2 THR A 28 -8.086 5.311 -4.931 1.00 0.00 C ATOM 0 H THR A 28 -4.814 5.192 -2.666 1.00 0.00 H new ATOM 0 HA THR A 28 -6.258 3.357 -4.338 1.00 0.00 H new ATOM 0 HB THR A 28 -6.512 6.361 -3.948 1.00 0.00 H new ATOM 0 HG1 THR A 28 -6.811 5.365 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.854 6.030 -4.645 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.709 5.558 -5.923 1.00 0.00 H new ATOM 0 HG23 THR A 28 -8.515 4.309 -4.945 1.00 0.00 H new ATOM 400 N TYR A 29 -4.091 5.378 -5.645 1.00 0.00 N ATOM 401 CA TYR A 29 -3.423 5.795 -6.873 1.00 0.00 C ATOM 402 C TYR A 29 -2.229 4.898 -7.149 1.00 0.00 C ATOM 403 O TYR A 29 -1.986 4.468 -8.277 1.00 0.00 O ATOM 404 CB TYR A 29 -2.960 7.249 -6.736 1.00 0.00 C ATOM 405 CG TYR A 29 -2.083 7.724 -7.871 1.00 0.00 C ATOM 406 CD1 TYR A 29 -2.545 7.708 -9.177 1.00 0.00 C ATOM 407 CD2 TYR A 29 -0.794 8.187 -7.634 1.00 0.00 C ATOM 408 CE1 TYR A 29 -1.751 8.141 -10.219 1.00 0.00 C ATOM 409 CE2 TYR A 29 0.007 8.622 -8.672 1.00 0.00 C ATOM 410 CZ TYR A 29 -0.474 8.597 -9.961 1.00 0.00 C ATOM 411 OH TYR A 29 0.320 9.031 -10.993 1.00 0.00 O ATOM 0 H TYR A 29 -3.604 5.649 -4.791 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.123 5.714 -7.705 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -3.836 7.894 -6.673 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -2.415 7.359 -5.799 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -3.543 7.351 -9.383 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -0.413 8.207 -6.624 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.127 8.123 -11.231 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.006 8.980 -8.473 1.00 0.00 H new ATOM 0 HH TYR A 29 1.187 9.319 -10.639 1.00 0.00 H new ATOM 421 N THR A 30 -1.496 4.634 -6.090 1.00 0.00 N ATOM 422 CA THR A 30 -0.296 3.831 -6.145 1.00 0.00 C ATOM 423 C THR A 30 -0.597 2.383 -6.541 1.00 0.00 C ATOM 424 O THR A 30 -0.032 1.870 -7.505 1.00 0.00 O ATOM 425 CB THR A 30 0.409 3.869 -4.779 1.00 0.00 C ATOM 426 OG1 THR A 30 0.759 5.219 -4.442 1.00 0.00 O ATOM 427 CG2 THR A 30 1.648 3.009 -4.784 1.00 0.00 C ATOM 0 H THR A 30 -1.720 4.975 -5.155 1.00 0.00 H new ATOM 0 HA THR A 30 0.356 4.250 -6.911 1.00 0.00 H new ATOM 0 HB THR A 30 -0.281 3.476 -4.032 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.033 5.689 -4.107 1.00 0.00 H new ATOM 0 HG21 THR A 30 2.126 3.055 -3.806 1.00 0.00 H new ATOM 0 HG22 THR A 30 1.374 1.978 -5.006 1.00 0.00 H new ATOM 0 HG23 THR A 30 2.340 3.372 -5.544 1.00 0.00 H new ATOM 435 N GLY A 31 -1.484 1.730 -5.798 1.00 0.00 N ATOM 436 CA GLY A 31 -1.808 0.350 -6.086 1.00 0.00 C ATOM 437 C GLY A 31 -1.757 -0.528 -4.853 1.00 0.00 C ATOM 438 O GLY A 31 -2.401 -1.574 -4.802 1.00 0.00 O ATOM 0 H GLY A 31 -1.982 2.133 -5.004 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.805 0.298 -6.524 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.112 -0.035 -6.831 1.00 0.00 H new ATOM 442 N CYS A 32 -0.976 -0.112 -3.861 1.00 0.00 N ATOM 443 CA CYS A 32 -0.902 -0.825 -2.586 1.00 0.00 C ATOM 444 C CYS A 32 -2.254 -0.774 -1.881 1.00 0.00 C ATOM 445 O CYS A 32 -3.071 0.097 -2.167 1.00 0.00 O ATOM 446 CB CYS A 32 0.177 -0.197 -1.703 1.00 0.00 C ATOM 447 SG CYS A 32 1.798 -0.030 -2.521 1.00 0.00 S ATOM 0 H CYS A 32 -0.384 0.717 -3.914 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.643 -1.867 -2.774 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -0.159 0.788 -1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.295 -0.803 -0.805 1.00 0.00 H new ATOM 452 N ILE A 33 -2.501 -1.694 -0.959 1.00 0.00 N ATOM 453 CA ILE A 33 -3.807 -1.766 -0.321 1.00 0.00 C ATOM 454 C ILE A 33 -3.706 -1.822 1.195 1.00 0.00 C ATOM 455 O ILE A 33 -2.829 -2.485 1.750 1.00 0.00 O ATOM 456 CB ILE A 33 -4.607 -2.997 -0.799 1.00 0.00 C ATOM 457 CG1 ILE A 33 -3.757 -4.269 -0.665 1.00 0.00 C ATOM 458 CG2 ILE A 33 -5.085 -2.803 -2.232 1.00 0.00 C ATOM 459 CD1 ILE A 33 -4.478 -5.541 -1.057 1.00 0.00 C ATOM 0 H ILE A 33 -1.827 -2.390 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.326 -0.852 -0.611 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.488 -3.109 -0.167 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.866 -4.164 -1.284 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.419 -4.360 0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.647 -3.681 -2.550 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -5.726 -1.923 -2.286 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -4.225 -2.666 -2.887 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.808 -6.392 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.354 -5.673 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.792 -5.475 -2.099 1.00 0.00 H new ATOM 471 N ILE A 34 -4.602 -1.104 1.861 1.00 0.00 N ATOM 472 CA ILE A 34 -4.750 -1.221 3.302 1.00 0.00 C ATOM 473 C ILE A 34 -5.692 -2.376 3.597 1.00 0.00 C ATOM 474 O ILE A 34 -6.805 -2.422 3.075 1.00 0.00 O ATOM 475 CB ILE A 34 -5.292 0.072 3.966 1.00 0.00 C ATOM 476 CG1 ILE A 34 -4.352 1.251 3.721 1.00 0.00 C ATOM 477 CG2 ILE A 34 -5.473 -0.135 5.462 1.00 0.00 C ATOM 478 CD1 ILE A 34 -4.586 1.970 2.409 1.00 0.00 C ATOM 0 H ILE A 34 -5.236 -0.435 1.424 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.760 -1.396 3.723 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.258 0.298 3.515 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.462 1.964 4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.323 0.892 3.747 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -5.854 0.781 5.913 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.181 -0.945 5.634 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -4.514 -0.390 5.913 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.878 2.793 2.314 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.446 1.273 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.603 2.362 2.385 1.00 0.00 H new ATOM 490 N ILE A 35 -5.245 -3.311 4.415 1.00 0.00 N ATOM 491 CA ILE A 35 -5.982 -4.545 4.611 1.00 0.00 C ATOM 492 C ILE A 35 -6.174 -4.833 6.106 1.00 0.00 C ATOM 493 O ILE A 35 -5.221 -5.106 6.835 1.00 0.00 O ATOM 494 CB ILE A 35 -5.272 -5.710 3.879 1.00 0.00 C ATOM 495 CG1 ILE A 35 -5.983 -7.039 4.114 1.00 0.00 C ATOM 496 CG2 ILE A 35 -3.809 -5.798 4.279 1.00 0.00 C ATOM 497 CD1 ILE A 35 -5.321 -8.193 3.399 1.00 0.00 C ATOM 0 H ILE A 35 -4.380 -3.240 4.951 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.977 -4.439 4.178 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.318 -5.498 2.811 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.009 -7.247 5.184 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.017 -6.956 3.780 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -3.336 -6.625 3.749 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.305 -4.867 4.022 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.735 -5.966 5.353 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -5.871 -9.112 3.604 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -5.319 -8.003 2.326 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.295 -8.299 3.751 1.00 0.00 H new ATOM 509 N PRO A 36 -7.426 -4.719 6.580 1.00 0.00 N ATOM 510 CA PRO A 36 -7.777 -4.838 8.010 1.00 0.00 C ATOM 511 C PRO A 36 -7.466 -6.205 8.624 1.00 0.00 C ATOM 512 O PRO A 36 -7.153 -6.298 9.806 1.00 0.00 O ATOM 513 CB PRO A 36 -9.291 -4.604 8.037 1.00 0.00 C ATOM 514 CG PRO A 36 -9.606 -3.920 6.753 1.00 0.00 C ATOM 515 CD PRO A 36 -8.607 -4.430 5.755 1.00 0.00 C ATOM 0 HA PRO A 36 -7.191 -4.132 8.598 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -9.833 -5.546 8.124 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.579 -3.990 8.891 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.624 -4.141 6.433 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.533 -2.838 6.860 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.969 -5.322 5.243 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -8.390 -3.688 4.987 1.00 0.00 H new ATOM 523 N GLY A 37 -7.568 -7.261 7.834 1.00 0.00 N ATOM 524 CA GLY A 37 -7.349 -8.585 8.356 1.00 0.00 C ATOM 525 C GLY A 37 -6.880 -9.528 7.283 1.00 0.00 C ATOM 526 O GLY A 37 -6.447 -9.088 6.223 1.00 0.00 O ATOM 0 H GLY A 37 -7.799 -7.222 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.609 -8.545 9.156 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.273 -8.962 8.795 1.00 0.00 H new ATOM 530 N ALA A 38 -6.974 -10.816 7.560 1.00 0.00 N ATOM 531 CA ALA A 38 -6.536 -11.866 6.637 1.00 0.00 C ATOM 532 C ALA A 38 -5.069 -11.714 6.271 1.00 0.00 C ATOM 533 O ALA A 38 -4.624 -12.224 5.242 1.00 0.00 O ATOM 534 CB ALA A 38 -7.416 -11.883 5.393 1.00 0.00 C ATOM 0 H ALA A 38 -7.358 -11.173 8.435 1.00 0.00 H new ATOM 0 HA ALA A 38 -6.642 -12.824 7.145 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -7.077 -12.669 4.718 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.450 -12.073 5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.352 -10.919 4.889 1.00 0.00 H new ATOM 540 N THR A 39 -4.322 -11.085 7.172 1.00 0.00 N ATOM 541 CA THR A 39 -2.928 -10.774 6.966 1.00 0.00 C ATOM 542 C THR A 39 -2.659 -10.257 5.551 1.00 0.00 C ATOM 543 O THR A 39 -2.923 -9.099 5.246 1.00 0.00 O ATOM 544 CB THR A 39 -2.076 -12.004 7.295 1.00 0.00 C ATOM 545 OG1 THR A 39 -2.369 -12.452 8.628 1.00 0.00 O ATOM 546 CG2 THR A 39 -0.585 -11.713 7.171 1.00 0.00 C ATOM 0 H THR A 39 -4.681 -10.776 8.076 1.00 0.00 H new ATOM 0 HA THR A 39 -2.650 -9.964 7.641 1.00 0.00 H new ATOM 0 HB THR A 39 -2.325 -12.782 6.574 1.00 0.00 H new ATOM 0 HG1 THR A 39 -1.824 -13.240 8.836 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.018 -12.612 7.413 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.358 -11.404 6.151 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.312 -10.915 7.861 1.00 0.00 H new ATOM 554 N CYS A 40 -2.179 -11.132 4.696 1.00 0.00 N ATOM 555 CA CYS A 40 -1.820 -10.777 3.326 1.00 0.00 C ATOM 556 C CYS A 40 -1.802 -12.003 2.423 1.00 0.00 C ATOM 557 O CYS A 40 -1.330 -13.068 2.821 1.00 0.00 O ATOM 558 CB CYS A 40 -0.438 -10.107 3.281 1.00 0.00 C ATOM 559 SG CYS A 40 -0.376 -8.427 3.980 1.00 0.00 S ATOM 0 H CYS A 40 -2.023 -12.114 4.924 1.00 0.00 H new ATOM 0 HA CYS A 40 -2.577 -10.080 2.966 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.272 -10.735 3.820 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -0.104 -10.066 2.244 1.00 0.00 H new ATOM 564 N PRO A 41 -2.337 -11.880 1.198 1.00 0.00 N ATOM 565 CA PRO A 41 -2.181 -12.914 0.183 1.00 0.00 C ATOM 566 C PRO A 41 -0.752 -12.932 -0.358 1.00 0.00 C ATOM 567 O PRO A 41 -0.100 -11.889 -0.446 1.00 0.00 O ATOM 568 CB PRO A 41 -3.174 -12.512 -0.905 1.00 0.00 C ATOM 569 CG PRO A 41 -3.340 -11.039 -0.747 1.00 0.00 C ATOM 570 CD PRO A 41 -3.146 -10.744 0.718 1.00 0.00 C ATOM 0 HA PRO A 41 -2.366 -13.916 0.569 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -2.797 -12.763 -1.896 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -4.124 -13.032 -0.784 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -2.611 -10.499 -1.352 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -4.328 -10.722 -1.080 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -2.634 -9.794 0.871 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -4.099 -10.680 1.243 1.00 0.00 H new ATOM 578 N GLY A 42 -0.282 -14.111 -0.740 1.00 0.00 N ATOM 579 CA GLY A 42 1.106 -14.279 -1.140 1.00 0.00 C ATOM 580 C GLY A 42 1.406 -13.742 -2.528 1.00 0.00 C ATOM 581 O GLY A 42 2.479 -13.987 -3.073 1.00 0.00 O ATOM 0 H GLY A 42 -0.841 -14.963 -0.781 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.748 -13.775 -0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.360 -15.339 -1.106 1.00 0.00 H new ATOM 585 N ASP A 43 0.460 -13.016 -3.101 1.00 0.00 N ATOM 586 CA ASP A 43 0.645 -12.417 -4.408 1.00 0.00 C ATOM 587 C ASP A 43 0.692 -10.904 -4.264 1.00 0.00 C ATOM 588 O ASP A 43 1.160 -10.188 -5.144 1.00 0.00 O ATOM 589 CB ASP A 43 -0.497 -12.841 -5.330 1.00 0.00 C ATOM 590 CG ASP A 43 -0.343 -12.321 -6.744 1.00 0.00 C ATOM 591 OD1 ASP A 43 0.668 -12.661 -7.397 1.00 0.00 O ATOM 592 OD2 ASP A 43 -1.243 -11.595 -7.210 1.00 0.00 O ATOM 0 H ASP A 43 -0.448 -12.828 -2.677 1.00 0.00 H new ATOM 0 HA ASP A 43 1.584 -12.756 -4.845 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.552 -13.929 -5.353 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.441 -12.483 -4.918 1.00 0.00 H new ATOM 597 N TYR A 44 0.233 -10.432 -3.114 1.00 0.00 N ATOM 598 CA TYR A 44 0.172 -9.006 -2.840 1.00 0.00 C ATOM 599 C TYR A 44 1.020 -8.664 -1.623 1.00 0.00 C ATOM 600 O TYR A 44 0.860 -7.610 -1.018 1.00 0.00 O ATOM 601 CB TYR A 44 -1.280 -8.567 -2.624 1.00 0.00 C ATOM 602 CG TYR A 44 -2.173 -8.828 -3.816 1.00 0.00 C ATOM 603 CD1 TYR A 44 -1.678 -8.715 -5.106 1.00 0.00 C ATOM 604 CD2 TYR A 44 -3.507 -9.177 -3.655 1.00 0.00 C ATOM 605 CE1 TYR A 44 -2.484 -8.939 -6.203 1.00 0.00 C ATOM 606 CE2 TYR A 44 -4.319 -9.407 -4.750 1.00 0.00 C ATOM 607 CZ TYR A 44 -3.801 -9.287 -6.022 1.00 0.00 C ATOM 608 OH TYR A 44 -4.603 -9.515 -7.117 1.00 0.00 O ATOM 0 H TYR A 44 -0.104 -11.021 -2.352 1.00 0.00 H new ATOM 0 HA TYR A 44 0.571 -8.468 -3.700 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.684 -9.089 -1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.299 -7.502 -2.392 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.643 -8.447 -5.255 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.916 -9.270 -2.660 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.081 -8.841 -7.200 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.355 -9.679 -4.610 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.506 -9.752 -6.818 1.00 0.00 H new ATOM 618 N ALA A 45 1.928 -9.565 -1.279 1.00 0.00 N ATOM 619 CA ALA A 45 2.842 -9.360 -0.167 1.00 0.00 C ATOM 620 C ALA A 45 4.271 -9.229 -0.693 1.00 0.00 C ATOM 621 O ALA A 45 5.199 -9.834 -0.161 1.00 0.00 O ATOM 622 CB ALA A 45 2.728 -10.518 0.819 1.00 0.00 C ATOM 0 H ALA A 45 2.051 -10.455 -1.761 1.00 0.00 H new ATOM 0 HA ALA A 45 2.580 -8.440 0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.416 -10.358 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.708 -10.574 1.198 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.979 -11.451 0.315 1.00 0.00 H new ATOM 628 N ASN A 46 4.434 -8.430 -1.743 1.00 0.00 N ATOM 629 CA ASN A 46 5.726 -8.284 -2.407 1.00 0.00 C ATOM 630 C ASN A 46 6.429 -7.012 -1.935 1.00 0.00 C ATOM 631 O ASN A 46 7.294 -7.113 -1.040 1.00 0.00 O ATOM 632 CB ASN A 46 5.533 -8.285 -3.930 1.00 0.00 C ATOM 633 CG ASN A 46 6.831 -8.414 -4.712 1.00 0.00 C ATOM 634 OD1 ASN A 46 7.418 -7.423 -5.135 1.00 0.00 O ATOM 635 ND2 ASN A 46 7.277 -9.649 -4.919 1.00 0.00 N ATOM 636 OXT ASN A 46 6.092 -5.918 -2.423 1.00 0.00 O ATOM 0 H ASN A 46 3.685 -7.872 -2.154 1.00 0.00 H new ATOM 0 HA ASN A 46 6.362 -9.129 -2.143 1.00 0.00 H new ATOM 0 HB2 ASN A 46 4.872 -9.108 -4.203 1.00 0.00 H new ATOM 0 HB3 ASN A 46 5.032 -7.363 -4.224 1.00 0.00 H new ATOM 0 HD21 ASN A 46 8.137 -9.799 -5.447 1.00 0.00 H new ATOM 0 HD22 ASN A 46 6.759 -10.447 -4.550 1.00 0.00 H new TER 643 ASN A 46