USER MOD reduce.3.24.130724 H: found=0, std=0, add=440, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 440 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 26 THR OG1 : rot -43:sc= -2.57! USER MOD Set 1.2: A 39 SER OG : rot 73:sc= 0.68 USER MOD Single : A 1 ILE N :NH3+ -164:sc= -0.741 (180deg=-1.57!) USER MOD Single : A 6 LYS NZ :NH3+ -146:sc= -0.22 (180deg=-1.27!) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -173:sc= -4.82! (180deg=-4.89) USER MOD Single : A 30 LYS NZ :NH3+ 153:sc= -0.0255 (180deg=-0.563) USER MOD Single : A 31 CYS SG : rot -174:sc= 0.672 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN :FLIP amide:sc= 0.0314 F(o=-0.73,f=0.031) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 SER OG : rot 180:sc= -1.11 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 10.418 -2.238 10.213 1.00 0.00 N ATOM 2 CA ILE A 1 9.030 -1.837 10.557 1.00 0.00 C ATOM 3 C ILE A 1 8.192 -1.619 9.298 1.00 0.00 C ATOM 4 O ILE A 1 8.630 -0.948 8.363 1.00 0.00 O ATOM 5 CB ILE A 1 9.013 -0.545 11.394 1.00 0.00 C ATOM 6 CG1 ILE A 1 10.017 -0.643 12.545 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.614 -0.276 11.926 1.00 0.00 C ATOM 8 CD1 ILE A 1 10.376 0.697 13.150 1.00 0.00 C ATOM 0 H1 ILE A 1 10.882 -2.638 11.053 1.00 0.00 H new ATOM 0 H2 ILE A 1 10.396 -2.952 9.457 1.00 0.00 H new ATOM 0 H3 ILE A 1 10.949 -1.405 9.887 1.00 0.00 H new ATOM 0 HA ILE A 1 8.601 -2.651 11.142 1.00 0.00 H new ATOM 0 HB ILE A 1 9.303 0.288 10.754 1.00 0.00 H new ATOM 0 HG12 ILE A 1 9.604 -1.285 13.323 1.00 0.00 H new ATOM 0 HG13 ILE A 1 10.926 -1.125 12.184 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.619 0.641 12.516 1.00 0.00 H new ATOM 0 HG22 ILE A 1 6.922 -0.167 11.091 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.297 -1.109 12.553 1.00 0.00 H new ATOM 0 HD11 ILE A 1 11.091 0.551 13.959 1.00 0.00 H new ATOM 0 HD12 ILE A 1 10.819 1.335 12.385 1.00 0.00 H new ATOM 0 HD13 ILE A 1 9.477 1.172 13.542 1.00 0.00 H new ATOM 22 N PRO A 2 6.973 -2.187 9.251 1.00 0.00 N ATOM 23 CA PRO A 2 6.083 -2.055 8.106 1.00 0.00 C ATOM 24 C PRO A 2 5.160 -0.845 8.218 1.00 0.00 C ATOM 25 O PRO A 2 5.261 -0.058 9.159 1.00 0.00 O ATOM 26 CB PRO A 2 5.282 -3.350 8.170 1.00 0.00 C ATOM 27 CG PRO A 2 5.180 -3.663 9.628 1.00 0.00 C ATOM 28 CD PRO A 2 6.360 -3.008 10.310 1.00 0.00 C ATOM 0 HA PRO A 2 6.622 -1.902 7.171 1.00 0.00 H new ATOM 0 HB2 PRO A 2 4.296 -3.228 7.722 1.00 0.00 H new ATOM 0 HB3 PRO A 2 5.782 -4.152 7.627 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.242 -3.288 10.037 1.00 0.00 H new ATOM 0 HG3 PRO A 2 5.191 -4.741 9.792 1.00 0.00 H new ATOM 0 HD2 PRO A 2 6.044 -2.397 11.156 1.00 0.00 H new ATOM 0 HD3 PRO A 2 7.060 -3.749 10.696 1.00 0.00 H new ATOM 36 N ALA A 3 4.258 -0.710 7.253 1.00 0.00 N ATOM 37 CA ALA A 3 3.313 0.392 7.237 1.00 0.00 C ATOM 38 C ALA A 3 1.965 -0.028 7.820 1.00 0.00 C ATOM 39 O ALA A 3 1.736 -1.207 8.086 1.00 0.00 O ATOM 40 CB ALA A 3 3.140 0.930 5.823 1.00 0.00 C ATOM 0 H ALA A 3 4.164 -1.356 6.469 1.00 0.00 H new ATOM 0 HA ALA A 3 3.716 1.188 7.863 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.428 1.755 5.832 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.100 1.284 5.448 1.00 0.00 H new ATOM 0 HB3 ALA A 3 2.768 0.137 5.175 1.00 0.00 H new ATOM 46 N PHE A 4 1.078 0.945 8.021 1.00 0.00 N ATOM 47 CA PHE A 4 -0.241 0.677 8.580 1.00 0.00 C ATOM 48 C PHE A 4 -1.351 1.256 7.702 1.00 0.00 C ATOM 49 O PHE A 4 -1.423 2.465 7.489 1.00 0.00 O ATOM 50 CB PHE A 4 -0.322 1.241 10.001 1.00 0.00 C ATOM 51 CG PHE A 4 -1.712 1.600 10.453 1.00 0.00 C ATOM 52 CD1 PHE A 4 -2.712 0.641 10.489 1.00 0.00 C ATOM 53 CD2 PHE A 4 -2.014 2.895 10.845 1.00 0.00 C ATOM 54 CE1 PHE A 4 -3.988 0.968 10.906 1.00 0.00 C ATOM 55 CE2 PHE A 4 -3.289 3.226 11.264 1.00 0.00 C ATOM 56 CZ PHE A 4 -4.278 2.262 11.294 1.00 0.00 C ATOM 0 H PHE A 4 1.251 1.926 7.804 1.00 0.00 H new ATOM 0 HA PHE A 4 -0.387 -0.403 8.614 1.00 0.00 H new ATOM 0 HB2 PHE A 4 0.093 0.508 10.693 1.00 0.00 H new ATOM 0 HB3 PHE A 4 0.307 2.129 10.062 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.492 -0.372 10.188 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.245 3.653 10.823 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.759 0.212 10.929 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -3.512 4.238 11.568 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.275 2.519 11.620 1.00 0.00 H new ATOM 66 N VAL A 5 -2.222 0.386 7.203 1.00 0.00 N ATOM 67 CA VAL A 5 -3.330 0.819 6.360 1.00 0.00 C ATOM 68 C VAL A 5 -4.408 1.505 7.191 1.00 0.00 C ATOM 69 O VAL A 5 -4.772 1.029 8.267 1.00 0.00 O ATOM 70 CB VAL A 5 -3.961 -0.363 5.601 1.00 0.00 C ATOM 71 CG1 VAL A 5 -5.022 0.128 4.626 1.00 0.00 C ATOM 72 CG2 VAL A 5 -2.890 -1.163 4.878 1.00 0.00 C ATOM 0 H VAL A 5 -2.183 -0.620 7.367 1.00 0.00 H new ATOM 0 HA VAL A 5 -2.920 1.524 5.637 1.00 0.00 H new ATOM 0 HB VAL A 5 -4.446 -1.018 6.325 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -5.455 -0.723 4.100 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -5.805 0.652 5.174 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -4.567 0.807 3.905 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -3.353 -1.994 4.347 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.374 -0.520 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -2.173 -1.550 5.603 1.00 0.00 H new ATOM 82 N LYS A 6 -4.915 2.623 6.687 1.00 0.00 N ATOM 83 CA LYS A 6 -5.951 3.373 7.387 1.00 0.00 C ATOM 84 C LYS A 6 -7.332 2.794 7.108 1.00 0.00 C ATOM 85 O LYS A 6 -7.949 2.178 7.977 1.00 0.00 O ATOM 86 CB LYS A 6 -5.909 4.846 6.977 1.00 0.00 C ATOM 87 CG LYS A 6 -4.605 5.543 7.332 1.00 0.00 C ATOM 88 CD LYS A 6 -4.351 6.740 6.430 1.00 0.00 C ATOM 89 CE LYS A 6 -3.584 7.832 7.159 1.00 0.00 C ATOM 90 NZ LYS A 6 -4.278 8.262 8.402 1.00 0.00 N ATOM 0 H LYS A 6 -4.626 3.030 5.797 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.757 3.294 8.457 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -6.068 4.919 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.734 5.371 7.458 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -4.637 5.869 8.372 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -3.778 4.838 7.244 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -3.789 6.423 5.552 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.302 7.137 6.074 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.586 7.471 7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -3.458 8.690 6.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -4.119 9.278 8.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -5.298 8.082 8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -3.903 7.727 9.212 1.00 0.00 H new ATOM 104 N PHE A 7 -7.811 3.009 5.893 1.00 0.00 N ATOM 105 CA PHE A 7 -9.122 2.526 5.486 1.00 0.00 C ATOM 106 C PHE A 7 -9.015 1.470 4.388 1.00 0.00 C ATOM 107 O PHE A 7 -8.087 1.491 3.579 1.00 0.00 O ATOM 108 CB PHE A 7 -9.983 3.689 5.003 1.00 0.00 C ATOM 109 CG PHE A 7 -11.417 3.600 5.438 1.00 0.00 C ATOM 110 CD1 PHE A 7 -11.740 3.289 6.749 1.00 0.00 C ATOM 111 CD2 PHE A 7 -12.442 3.830 4.535 1.00 0.00 C ATOM 112 CE1 PHE A 7 -13.060 3.208 7.151 1.00 0.00 C ATOM 113 CE2 PHE A 7 -13.763 3.750 4.931 1.00 0.00 C ATOM 114 CZ PHE A 7 -14.073 3.438 6.241 1.00 0.00 C ATOM 0 H PHE A 7 -7.308 3.518 5.167 1.00 0.00 H new ATOM 0 HA PHE A 7 -9.589 2.063 6.355 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -9.558 4.622 5.372 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -9.945 3.730 3.914 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -10.952 3.108 7.465 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -12.206 4.075 3.510 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -13.299 2.965 8.176 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -14.553 3.931 4.217 1.00 0.00 H new ATOM 0 HZ PHE A 7 -15.105 3.374 6.552 1.00 0.00 H new ATOM 124 N ALA A 8 -9.978 0.551 4.364 1.00 0.00 N ATOM 125 CA ALA A 8 -10.007 -0.508 3.369 1.00 0.00 C ATOM 126 C ALA A 8 -10.750 -0.061 2.118 1.00 0.00 C ATOM 127 O ALA A 8 -11.847 0.490 2.203 1.00 0.00 O ATOM 128 CB ALA A 8 -10.653 -1.760 3.941 1.00 0.00 C ATOM 0 H ALA A 8 -10.751 0.523 5.029 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.978 -0.737 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.666 -2.542 3.182 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.082 -2.102 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -11.675 -1.535 4.247 1.00 0.00 H new ATOM 134 N TYR A 9 -10.151 -0.299 0.959 1.00 0.00 N ATOM 135 CA TYR A 9 -10.768 0.083 -0.302 1.00 0.00 C ATOM 136 C TYR A 9 -10.668 -1.045 -1.324 1.00 0.00 C ATOM 137 O TYR A 9 -9.700 -1.805 -1.331 1.00 0.00 O ATOM 138 CB TYR A 9 -10.105 1.346 -0.854 1.00 0.00 C ATOM 139 CG TYR A 9 -10.803 1.910 -2.070 1.00 0.00 C ATOM 140 CD1 TYR A 9 -12.085 2.437 -1.975 1.00 0.00 C ATOM 141 CD2 TYR A 9 -10.182 1.913 -3.313 1.00 0.00 C ATOM 142 CE1 TYR A 9 -12.728 2.950 -3.085 1.00 0.00 C ATOM 143 CE2 TYR A 9 -10.819 2.424 -4.428 1.00 0.00 C ATOM 144 CZ TYR A 9 -12.092 2.941 -4.308 1.00 0.00 C ATOM 145 OH TYR A 9 -12.731 3.451 -5.416 1.00 0.00 O ATOM 0 H TYR A 9 -9.242 -0.753 0.867 1.00 0.00 H new ATOM 0 HA TYR A 9 -11.823 0.284 -0.114 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -10.082 2.106 -0.073 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -9.070 1.121 -1.111 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -12.587 2.446 -1.019 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -9.185 1.509 -3.409 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -13.725 3.356 -2.995 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -10.323 2.419 -5.387 1.00 0.00 H new ATOM 0 HH TYR A 9 -12.145 3.370 -6.198 1.00 0.00 H new ATOM 155 N VAL A 10 -11.668 -1.136 -2.194 1.00 0.00 N ATOM 156 CA VAL A 10 -11.688 -2.154 -3.230 1.00 0.00 C ATOM 157 C VAL A 10 -10.962 -1.637 -4.462 1.00 0.00 C ATOM 158 O VAL A 10 -11.058 -0.454 -4.787 1.00 0.00 O ATOM 159 CB VAL A 10 -13.126 -2.548 -3.613 1.00 0.00 C ATOM 160 CG1 VAL A 10 -13.775 -3.351 -2.497 1.00 0.00 C ATOM 161 CG2 VAL A 10 -13.948 -1.311 -3.937 1.00 0.00 C ATOM 0 H VAL A 10 -12.476 -0.514 -2.199 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.188 -3.040 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 10 -13.087 -3.175 -4.504 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.791 -3.620 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -13.197 -4.257 -2.317 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.803 -2.752 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.962 -1.608 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -13.980 -0.657 -3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -13.492 -0.780 -4.772 1.00 0.00 H new ATOM 171 N ALA A 11 -10.207 -2.502 -5.130 1.00 0.00 N ATOM 172 CA ALA A 11 -9.453 -2.066 -6.296 1.00 0.00 C ATOM 173 C ALA A 11 -9.479 -3.069 -7.450 1.00 0.00 C ATOM 174 O ALA A 11 -10.264 -4.017 -7.470 1.00 0.00 O ATOM 175 CB ALA A 11 -8.016 -1.772 -5.888 1.00 0.00 C ATOM 0 H ALA A 11 -10.102 -3.488 -4.890 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.937 -1.163 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.450 -1.445 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -8.006 -0.986 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -7.562 -2.674 -5.478 1.00 0.00 H new ATOM 181 N GLU A 12 -8.601 -2.812 -8.414 1.00 0.00 N ATOM 182 CA GLU A 12 -8.447 -3.617 -9.620 1.00 0.00 C ATOM 183 C GLU A 12 -7.589 -4.856 -9.370 1.00 0.00 C ATOM 184 O GLU A 12 -7.093 -5.077 -8.266 1.00 0.00 O ATOM 185 CB GLU A 12 -7.839 -2.779 -10.747 1.00 0.00 C ATOM 186 CG GLU A 12 -8.877 -2.077 -11.610 1.00 0.00 C ATOM 187 CD GLU A 12 -8.649 -0.579 -11.699 1.00 0.00 C ATOM 188 OE1 GLU A 12 -9.035 0.137 -10.751 1.00 0.00 O ATOM 189 OE2 GLU A 12 -8.088 -0.124 -12.717 1.00 0.00 O ATOM 0 H GLU A 12 -7.961 -2.018 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 12 -9.441 -3.953 -9.916 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -7.173 -2.032 -10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.228 -3.424 -11.379 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.858 -2.503 -12.613 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.870 -2.266 -11.202 1.00 0.00 H new ATOM 196 N ARG A 13 -7.456 -5.672 -10.409 1.00 0.00 N ATOM 197 CA ARG A 13 -6.702 -6.919 -10.346 1.00 0.00 C ATOM 198 C ARG A 13 -5.208 -6.668 -10.539 1.00 0.00 C ATOM 199 O ARG A 13 -4.711 -5.590 -10.210 1.00 0.00 O ATOM 200 CB ARG A 13 -7.217 -7.902 -11.405 1.00 0.00 C ATOM 201 CG ARG A 13 -6.720 -7.631 -12.824 1.00 0.00 C ATOM 202 CD ARG A 13 -6.843 -6.164 -13.204 1.00 0.00 C ATOM 203 NE ARG A 13 -6.310 -5.901 -14.539 1.00 0.00 N ATOM 204 CZ ARG A 13 -5.958 -4.693 -14.971 1.00 0.00 C ATOM 205 NH1 ARG A 13 -6.087 -3.634 -14.182 1.00 0.00 N ATOM 206 NH2 ARG A 13 -5.475 -4.544 -16.197 1.00 0.00 N ATOM 0 H ARG A 13 -7.870 -5.487 -11.323 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.846 -7.354 -9.357 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -6.922 -8.911 -11.118 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.307 -7.876 -11.405 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.678 -7.940 -12.908 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.290 -8.236 -13.529 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -7.891 -5.866 -13.166 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.311 -5.554 -12.474 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.202 -6.690 -15.177 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.458 -3.743 -13.238 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.815 -2.711 -14.519 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.374 -5.355 -16.807 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.205 -3.618 -16.530 1.00 0.00 H new ATOM 220 N GLU A 14 -4.478 -7.676 -11.018 1.00 0.00 N ATOM 221 CA GLU A 14 -3.037 -7.546 -11.178 1.00 0.00 C ATOM 222 C GLU A 14 -2.694 -6.272 -11.933 1.00 0.00 C ATOM 223 O GLU A 14 -2.890 -6.155 -13.142 1.00 0.00 O ATOM 224 CB GLU A 14 -2.472 -8.758 -11.924 1.00 0.00 C ATOM 225 CG GLU A 14 -2.814 -10.089 -11.273 1.00 0.00 C ATOM 226 CD GLU A 14 -1.807 -10.496 -10.215 1.00 0.00 C ATOM 227 OE1 GLU A 14 -0.592 -10.434 -10.497 1.00 0.00 O ATOM 228 OE2 GLU A 14 -2.233 -10.875 -9.104 1.00 0.00 O ATOM 0 H GLU A 14 -4.859 -8.580 -11.298 1.00 0.00 H new ATOM 0 HA GLU A 14 -2.588 -7.497 -10.186 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.852 -8.755 -12.946 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.388 -8.662 -11.987 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -3.804 -10.025 -10.822 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -2.863 -10.862 -12.040 1.00 0.00 H new ATOM 235 N ASP A 15 -2.195 -5.320 -11.151 1.00 0.00 N ATOM 236 CA ASP A 15 -1.804 -3.988 -11.603 1.00 0.00 C ATOM 237 C ASP A 15 -1.955 -3.047 -10.419 1.00 0.00 C ATOM 238 O ASP A 15 -1.007 -2.390 -9.987 1.00 0.00 O ATOM 239 CB ASP A 15 -2.674 -3.505 -12.773 1.00 0.00 C ATOM 240 CG ASP A 15 -2.382 -2.067 -13.158 1.00 0.00 C ATOM 241 OD1 ASP A 15 -2.605 -1.171 -12.317 1.00 0.00 O ATOM 242 OD2 ASP A 15 -1.929 -1.837 -14.299 1.00 0.00 O ATOM 0 H ASP A 15 -2.046 -5.459 -10.151 1.00 0.00 H new ATOM 0 HA ASP A 15 -0.775 -4.011 -11.963 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.508 -4.150 -13.636 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.726 -3.599 -12.503 1.00 0.00 H new ATOM 247 N GLU A 16 -3.164 -3.047 -9.877 1.00 0.00 N ATOM 248 CA GLU A 16 -3.511 -2.265 -8.704 1.00 0.00 C ATOM 249 C GLU A 16 -4.172 -3.204 -7.695 1.00 0.00 C ATOM 250 O GLU A 16 -4.783 -4.197 -8.092 1.00 0.00 O ATOM 251 CB GLU A 16 -4.426 -1.093 -9.088 1.00 0.00 C ATOM 252 CG GLU A 16 -5.791 -1.128 -8.443 1.00 0.00 C ATOM 253 CD GLU A 16 -6.694 -0.006 -8.919 1.00 0.00 C ATOM 254 OE1 GLU A 16 -6.619 0.349 -10.115 1.00 0.00 O ATOM 255 OE2 GLU A 16 -7.476 0.518 -8.098 1.00 0.00 O ATOM 0 H GLU A 16 -3.940 -3.597 -10.245 1.00 0.00 H new ATOM 0 HA GLU A 16 -2.620 -1.825 -8.255 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.933 -0.159 -8.816 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.550 -1.085 -10.171 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.265 -2.086 -8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.678 -1.064 -7.361 1.00 0.00 H new ATOM 262 N LEU A 17 -4.032 -2.933 -6.403 1.00 0.00 N ATOM 263 CA LEU A 17 -4.615 -3.822 -5.401 1.00 0.00 C ATOM 264 C LEU A 17 -5.454 -3.087 -4.360 1.00 0.00 C ATOM 265 O LEU A 17 -5.205 -1.927 -4.031 1.00 0.00 O ATOM 266 CB LEU A 17 -3.526 -4.651 -4.706 1.00 0.00 C ATOM 267 CG LEU A 17 -2.125 -4.030 -4.665 1.00 0.00 C ATOM 268 CD1 LEU A 17 -1.551 -3.882 -6.068 1.00 0.00 C ATOM 269 CD2 LEU A 17 -2.154 -2.690 -3.943 1.00 0.00 C ATOM 0 H LEU A 17 -3.533 -2.126 -6.029 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.289 -4.486 -5.943 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -3.845 -4.845 -3.682 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.458 -5.616 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 17 -1.472 -4.702 -4.109 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.557 -3.439 -6.009 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -1.484 -4.863 -6.539 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.201 -3.238 -6.661 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.150 -2.265 -3.924 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -2.826 -2.010 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.506 -2.835 -2.922 1.00 0.00 H new ATOM 281 N SER A 18 -6.448 -3.807 -3.843 1.00 0.00 N ATOM 282 CA SER A 18 -7.357 -3.298 -2.823 1.00 0.00 C ATOM 283 C SER A 18 -6.618 -3.040 -1.513 1.00 0.00 C ATOM 284 O SER A 18 -5.622 -3.699 -1.212 1.00 0.00 O ATOM 285 CB SER A 18 -8.510 -4.281 -2.602 1.00 0.00 C ATOM 286 OG SER A 18 -8.227 -5.177 -1.540 1.00 0.00 O ATOM 0 H SER A 18 -6.645 -4.768 -4.124 1.00 0.00 H new ATOM 0 HA SER A 18 -7.766 -2.350 -3.173 1.00 0.00 H new ATOM 0 HB2 SER A 18 -9.424 -3.729 -2.381 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.691 -4.844 -3.517 1.00 0.00 H new ATOM 0 HG SER A 18 -8.981 -5.792 -1.421 1.00 0.00 H new ATOM 292 N LEU A 19 -7.094 -2.063 -0.748 1.00 0.00 N ATOM 293 CA LEU A 19 -6.459 -1.705 0.518 1.00 0.00 C ATOM 294 C LEU A 19 -7.100 -2.444 1.688 1.00 0.00 C ATOM 295 O LEU A 19 -8.276 -2.803 1.648 1.00 0.00 O ATOM 296 CB LEU A 19 -6.554 -0.196 0.753 1.00 0.00 C ATOM 297 CG LEU A 19 -6.568 0.650 -0.516 1.00 0.00 C ATOM 298 CD1 LEU A 19 -6.748 2.122 -0.184 1.00 0.00 C ATOM 299 CD2 LEU A 19 -5.293 0.429 -1.311 1.00 0.00 C ATOM 0 H LEU A 19 -7.916 -1.505 -0.981 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.411 -1.998 0.456 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.460 0.012 1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.711 0.115 1.371 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.415 0.339 -1.127 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.755 2.705 -1.105 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.692 2.264 0.342 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.926 2.455 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.317 1.039 -2.214 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.433 0.712 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.213 -0.623 -1.586 1.00 0.00 H new ATOM 311 N VAL A 20 -6.296 -2.684 2.717 1.00 0.00 N ATOM 312 CA VAL A 20 -6.746 -3.403 3.908 1.00 0.00 C ATOM 313 C VAL A 20 -7.610 -2.530 4.809 1.00 0.00 C ATOM 314 O VAL A 20 -7.599 -1.304 4.708 1.00 0.00 O ATOM 315 CB VAL A 20 -5.559 -3.933 4.735 1.00 0.00 C ATOM 316 CG1 VAL A 20 -6.010 -5.065 5.645 1.00 0.00 C ATOM 317 CG2 VAL A 20 -4.426 -4.391 3.828 1.00 0.00 C ATOM 0 H VAL A 20 -5.320 -2.389 2.752 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.340 -4.241 3.543 1.00 0.00 H new ATOM 0 HB VAL A 20 -5.185 -3.119 5.355 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -5.160 -5.428 6.222 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -6.781 -4.701 6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.413 -5.878 5.042 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.600 -4.761 4.436 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -4.782 -5.188 3.176 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -4.083 -3.552 3.222 1.00 0.00 H new ATOM 327 N LYS A 21 -8.360 -3.182 5.695 1.00 0.00 N ATOM 328 CA LYS A 21 -9.243 -2.485 6.624 1.00 0.00 C ATOM 329 C LYS A 21 -8.521 -2.152 7.925 1.00 0.00 C ATOM 330 O LYS A 21 -8.673 -1.057 8.467 1.00 0.00 O ATOM 331 CB LYS A 21 -10.480 -3.337 6.929 1.00 0.00 C ATOM 332 CG LYS A 21 -11.018 -4.107 5.729 1.00 0.00 C ATOM 333 CD LYS A 21 -11.451 -5.512 6.118 1.00 0.00 C ATOM 334 CE LYS A 21 -11.054 -6.528 5.060 1.00 0.00 C ATOM 335 NZ LYS A 21 -11.882 -7.762 5.140 1.00 0.00 N ATOM 0 H LYS A 21 -8.373 -4.198 5.788 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.553 -1.554 6.150 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.234 -4.045 7.720 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.268 -2.689 7.314 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -11.864 -3.570 5.300 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -10.251 -4.162 4.957 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.999 -5.783 7.072 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -12.532 -5.535 6.259 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -11.160 -6.083 4.071 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -10.002 -6.787 5.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.581 -8.430 4.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -11.761 -8.201 6.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -12.883 -7.518 4.998 1.00 0.00 H new ATOM 349 N GLY A 22 -7.741 -3.104 8.428 1.00 0.00 N ATOM 350 CA GLY A 22 -7.017 -2.888 9.662 1.00 0.00 C ATOM 351 C GLY A 22 -5.866 -3.853 9.846 1.00 0.00 C ATOM 352 O GLY A 22 -5.843 -4.639 10.792 1.00 0.00 O ATOM 0 H GLY A 22 -7.599 -4.020 8.001 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.635 -1.867 9.679 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.704 -2.986 10.502 1.00 0.00 H new ATOM 356 N SER A 23 -4.908 -3.780 8.938 1.00 0.00 N ATOM 357 CA SER A 23 -3.734 -4.636 8.988 1.00 0.00 C ATOM 358 C SER A 23 -2.471 -3.833 8.703 1.00 0.00 C ATOM 359 O SER A 23 -2.508 -2.603 8.658 1.00 0.00 O ATOM 360 CB SER A 23 -3.864 -5.787 7.995 1.00 0.00 C ATOM 361 OG SER A 23 -3.529 -7.023 8.602 1.00 0.00 O ATOM 0 H SER A 23 -4.921 -3.131 8.151 1.00 0.00 H new ATOM 0 HA SER A 23 -3.661 -5.052 9.993 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.884 -5.830 7.614 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.212 -5.609 7.140 1.00 0.00 H new ATOM 0 HG SER A 23 -3.622 -7.745 7.946 1.00 0.00 H new ATOM 367 N ARG A 24 -1.353 -4.527 8.517 1.00 0.00 N ATOM 368 CA ARG A 24 -0.086 -3.860 8.246 1.00 0.00 C ATOM 369 C ARG A 24 0.503 -4.288 6.906 1.00 0.00 C ATOM 370 O ARG A 24 0.584 -5.476 6.594 1.00 0.00 O ATOM 371 CB ARG A 24 0.906 -4.134 9.367 1.00 0.00 C ATOM 372 CG ARG A 24 0.625 -3.343 10.634 1.00 0.00 C ATOM 373 CD ARG A 24 1.402 -2.036 10.662 1.00 0.00 C ATOM 374 NE ARG A 24 1.635 -1.565 12.026 1.00 0.00 N ATOM 375 CZ ARG A 24 2.478 -2.145 12.877 1.00 0.00 C ATOM 376 NH1 ARG A 24 3.169 -3.216 12.511 1.00 0.00 N ATOM 377 NH2 ARG A 24 2.629 -1.651 14.098 1.00 0.00 N ATOM 0 H ARG A 24 -1.299 -5.545 8.549 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.283 -2.789 8.195 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.891 -5.198 9.602 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.911 -3.899 9.017 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.442 -3.134 10.704 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.890 -3.943 11.505 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.359 -2.172 10.157 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.853 -1.276 10.105 1.00 0.00 H new ATOM 0 HE ARG A 24 1.121 -0.743 12.344 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.056 -3.600 11.573 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.814 -3.656 13.168 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.099 -0.828 14.384 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.275 -2.094 14.751 1.00 0.00 H new ATOM 391 N VAL A 25 0.918 -3.298 6.128 1.00 0.00 N ATOM 392 CA VAL A 25 1.517 -3.522 4.817 1.00 0.00 C ATOM 393 C VAL A 25 2.999 -3.170 4.855 1.00 0.00 C ATOM 394 O VAL A 25 3.462 -2.547 5.806 1.00 0.00 O ATOM 395 CB VAL A 25 0.815 -2.681 3.729 1.00 0.00 C ATOM 396 CG1 VAL A 25 1.308 -3.068 2.343 1.00 0.00 C ATOM 397 CG2 VAL A 25 -0.693 -2.841 3.828 1.00 0.00 C ATOM 0 H VAL A 25 0.849 -2.314 6.388 1.00 0.00 H new ATOM 0 HA VAL A 25 1.395 -4.576 4.569 1.00 0.00 H new ATOM 0 HB VAL A 25 1.063 -1.632 3.893 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.799 -2.462 1.593 1.00 0.00 H new ATOM 0 HG12 VAL A 25 2.383 -2.898 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 25 1.096 -4.122 2.163 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.174 -2.242 3.055 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -0.957 -3.890 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.031 -2.506 4.809 1.00 0.00 H new ATOM 407 N THR A 26 3.748 -3.570 3.835 1.00 0.00 N ATOM 408 CA THR A 26 5.178 -3.285 3.793 1.00 0.00 C ATOM 409 C THR A 26 5.419 -1.853 3.322 1.00 0.00 C ATOM 410 O THR A 26 4.726 -1.358 2.433 1.00 0.00 O ATOM 411 CB THR A 26 5.893 -4.265 2.872 1.00 0.00 C ATOM 412 OG1 THR A 26 5.667 -3.910 1.530 1.00 0.00 O ATOM 413 CG2 THR A 26 5.443 -5.698 3.058 1.00 0.00 C ATOM 0 H THR A 26 3.393 -4.089 3.031 1.00 0.00 H new ATOM 0 HA THR A 26 5.580 -3.398 4.800 1.00 0.00 H new ATOM 0 HB THR A 26 6.950 -4.207 3.130 1.00 0.00 H new ATOM 0 HG1 THR A 26 4.725 -3.669 1.410 1.00 0.00 H new ATOM 0 HG21 THR A 26 5.991 -6.344 2.372 1.00 0.00 H new ATOM 0 HG22 THR A 26 5.638 -6.010 4.084 1.00 0.00 H new ATOM 0 HG23 THR A 26 4.375 -5.774 2.852 1.00 0.00 H new ATOM 421 N VAL A 27 6.376 -1.177 3.954 1.00 0.00 N ATOM 422 CA VAL A 27 6.671 0.214 3.629 1.00 0.00 C ATOM 423 C VAL A 27 6.953 0.391 2.140 1.00 0.00 C ATOM 424 O VAL A 27 7.835 -0.252 1.570 1.00 0.00 O ATOM 425 CB VAL A 27 7.879 0.732 4.435 1.00 0.00 C ATOM 426 CG1 VAL A 27 9.128 -0.072 4.105 1.00 0.00 C ATOM 427 CG2 VAL A 27 8.106 2.213 4.174 1.00 0.00 C ATOM 0 H VAL A 27 6.959 -1.570 4.693 1.00 0.00 H new ATOM 0 HA VAL A 27 5.787 0.793 3.895 1.00 0.00 H new ATOM 0 HB VAL A 27 7.662 0.605 5.496 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.969 0.309 4.684 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.962 -1.120 4.353 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.349 0.019 3.041 1.00 0.00 H new ATOM 0 HG21 VAL A 27 8.963 2.557 4.753 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.298 2.370 3.113 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.220 2.775 4.469 1.00 0.00 H new ATOM 437 N MET A 28 6.164 1.265 1.524 1.00 0.00 N ATOM 438 CA MET A 28 6.265 1.553 0.098 1.00 0.00 C ATOM 439 C MET A 28 7.675 1.958 -0.309 1.00 0.00 C ATOM 440 O MET A 28 8.602 1.954 0.503 1.00 0.00 O ATOM 441 CB MET A 28 5.285 2.664 -0.275 1.00 0.00 C ATOM 442 CG MET A 28 3.853 2.368 0.135 1.00 0.00 C ATOM 443 SD MET A 28 3.086 1.119 -0.908 1.00 0.00 S ATOM 444 CE MET A 28 3.039 1.985 -2.473 1.00 0.00 C ATOM 0 H MET A 28 5.435 1.795 2.001 1.00 0.00 H new ATOM 0 HA MET A 28 6.017 0.637 -0.439 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.605 3.594 0.196 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.321 2.823 -1.353 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.837 2.032 1.172 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.267 3.286 0.088 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.479 1.395 -3.199 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.554 2.952 -2.339 1.00 0.00 H new ATOM 0 HE3 MET A 28 4.056 2.136 -2.836 1.00 0.00 H new ATOM 454 N GLU A 29 7.819 2.308 -1.582 1.00 0.00 N ATOM 455 CA GLU A 29 9.099 2.723 -2.134 1.00 0.00 C ATOM 456 C GLU A 29 9.075 4.207 -2.483 1.00 0.00 C ATOM 457 O GLU A 29 8.079 4.711 -3.003 1.00 0.00 O ATOM 458 CB GLU A 29 9.423 1.893 -3.385 1.00 0.00 C ATOM 459 CG GLU A 29 8.681 2.334 -4.642 1.00 0.00 C ATOM 460 CD GLU A 29 9.330 1.814 -5.911 1.00 0.00 C ATOM 461 OE1 GLU A 29 9.904 0.706 -5.872 1.00 0.00 O ATOM 462 OE2 GLU A 29 9.264 2.516 -6.942 1.00 0.00 O ATOM 0 H GLU A 29 7.054 2.312 -2.257 1.00 0.00 H new ATOM 0 HA GLU A 29 9.872 2.556 -1.384 1.00 0.00 H new ATOM 0 HB2 GLU A 29 10.495 1.945 -3.573 1.00 0.00 H new ATOM 0 HB3 GLU A 29 9.185 0.848 -3.185 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.650 1.982 -4.594 1.00 0.00 H new ATOM 0 HG3 GLU A 29 8.645 3.423 -4.676 1.00 0.00 H new ATOM 469 N LYS A 30 10.171 4.906 -2.213 1.00 0.00 N ATOM 470 CA LYS A 30 10.244 6.323 -2.528 1.00 0.00 C ATOM 471 C LYS A 30 10.294 6.508 -4.042 1.00 0.00 C ATOM 472 O LYS A 30 11.355 6.404 -4.655 1.00 0.00 O ATOM 473 CB LYS A 30 11.473 6.958 -1.873 1.00 0.00 C ATOM 474 CG LYS A 30 11.310 7.200 -0.380 1.00 0.00 C ATOM 475 CD LYS A 30 12.655 7.248 0.329 1.00 0.00 C ATOM 476 CE LYS A 30 12.668 8.297 1.429 1.00 0.00 C ATOM 477 NZ LYS A 30 11.431 8.249 2.258 1.00 0.00 N ATOM 0 H LYS A 30 11.010 4.519 -1.782 1.00 0.00 H new ATOM 0 HA LYS A 30 9.356 6.819 -2.135 1.00 0.00 H new ATOM 0 HB2 LYS A 30 12.336 6.312 -2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 30 11.687 7.907 -2.365 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.779 8.138 -0.219 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.698 6.409 0.053 1.00 0.00 H new ATOM 0 HD2 LYS A 30 12.878 6.270 0.755 1.00 0.00 H new ATOM 0 HD3 LYS A 30 13.441 7.467 -0.394 1.00 0.00 H new ATOM 0 HE2 LYS A 30 13.538 8.143 2.067 1.00 0.00 H new ATOM 0 HE3 LYS A 30 12.769 9.287 0.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 11.638 8.608 3.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.695 8.838 1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.095 7.267 2.324 1.00 0.00 H new ATOM 491 N CYS A 31 9.135 6.766 -4.638 1.00 0.00 N ATOM 492 CA CYS A 31 9.044 6.946 -6.082 1.00 0.00 C ATOM 493 C CYS A 31 8.830 8.412 -6.446 1.00 0.00 C ATOM 494 O CYS A 31 8.290 9.187 -5.657 1.00 0.00 O ATOM 495 CB CYS A 31 7.900 6.103 -6.650 1.00 0.00 C ATOM 496 SG CYS A 31 8.171 5.540 -8.347 1.00 0.00 S ATOM 0 H CYS A 31 8.247 6.855 -4.144 1.00 0.00 H new ATOM 0 HA CYS A 31 9.988 6.618 -6.517 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.751 5.234 -6.010 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.980 6.687 -6.615 1.00 0.00 H new ATOM 0 HG CYS A 31 7.104 4.937 -8.780 1.00 0.00 H new ATOM 502 N SER A 32 9.251 8.781 -7.651 1.00 0.00 N ATOM 503 CA SER A 32 9.100 10.150 -8.129 1.00 0.00 C ATOM 504 C SER A 32 7.808 10.304 -8.924 1.00 0.00 C ATOM 505 O SER A 32 7.208 11.378 -8.955 1.00 0.00 O ATOM 506 CB SER A 32 10.297 10.547 -8.995 1.00 0.00 C ATOM 507 OG SER A 32 10.016 11.707 -9.756 1.00 0.00 O ATOM 0 H SER A 32 9.700 8.150 -8.315 1.00 0.00 H new ATOM 0 HA SER A 32 9.056 10.810 -7.263 1.00 0.00 H new ATOM 0 HB2 SER A 32 11.165 10.727 -8.360 1.00 0.00 H new ATOM 0 HB3 SER A 32 10.555 9.725 -9.662 1.00 0.00 H new ATOM 0 HG SER A 32 10.798 11.939 -10.299 1.00 0.00 H new ATOM 513 N ASP A 33 7.385 9.218 -9.564 1.00 0.00 N ATOM 514 CA ASP A 33 6.164 9.226 -10.358 1.00 0.00 C ATOM 515 C ASP A 33 4.961 8.820 -9.512 1.00 0.00 C ATOM 516 O ASP A 33 5.114 8.330 -8.393 1.00 0.00 O ATOM 517 CB ASP A 33 6.306 8.285 -11.557 1.00 0.00 C ATOM 518 CG ASP A 33 6.559 9.033 -12.851 1.00 0.00 C ATOM 519 OD1 ASP A 33 5.605 9.638 -13.384 1.00 0.00 O ATOM 520 OD2 ASP A 33 7.712 9.012 -13.333 1.00 0.00 O ATOM 0 H ASP A 33 7.871 8.321 -9.547 1.00 0.00 H new ATOM 0 HA ASP A 33 6.001 10.241 -10.720 1.00 0.00 H new ATOM 0 HB2 ASP A 33 7.126 7.591 -11.375 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.399 7.688 -11.657 1.00 0.00 H new ATOM 525 N GLY A 34 3.768 9.030 -10.054 1.00 0.00 N ATOM 526 CA GLY A 34 2.553 8.684 -9.339 1.00 0.00 C ATOM 527 C GLY A 34 2.441 7.198 -9.045 1.00 0.00 C ATOM 528 O GLY A 34 1.643 6.788 -8.203 1.00 0.00 O ATOM 0 H GLY A 34 3.619 9.435 -10.978 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.520 9.238 -8.401 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.690 8.999 -9.926 1.00 0.00 H new ATOM 532 N TRP A 35 3.240 6.390 -9.736 1.00 0.00 N ATOM 533 CA TRP A 35 3.216 4.942 -9.533 1.00 0.00 C ATOM 534 C TRP A 35 4.046 4.558 -8.312 1.00 0.00 C ATOM 535 O TRP A 35 5.265 4.411 -8.401 1.00 0.00 O ATOM 536 CB TRP A 35 3.739 4.196 -10.771 1.00 0.00 C ATOM 537 CG TRP A 35 3.748 5.019 -12.028 1.00 0.00 C ATOM 538 CD1 TRP A 35 2.663 5.498 -12.703 1.00 0.00 C ATOM 539 CD2 TRP A 35 4.900 5.454 -12.759 1.00 0.00 C ATOM 540 NE1 TRP A 35 3.071 6.208 -13.807 1.00 0.00 N ATOM 541 CE2 TRP A 35 4.439 6.195 -13.864 1.00 0.00 C ATOM 542 CE3 TRP A 35 6.278 5.291 -12.585 1.00 0.00 C ATOM 543 CZ2 TRP A 35 5.306 6.770 -14.789 1.00 0.00 C ATOM 544 CZ3 TRP A 35 7.137 5.861 -13.505 1.00 0.00 C ATOM 545 CH2 TRP A 35 6.649 6.594 -14.595 1.00 0.00 C ATOM 0 H TRP A 35 3.908 6.709 -10.437 1.00 0.00 H new ATOM 0 HA TRP A 35 2.179 4.651 -9.367 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.752 3.848 -10.571 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.125 3.311 -10.934 1.00 0.00 H new ATOM 0 HD1 TRP A 35 1.635 5.342 -12.412 1.00 0.00 H new ATOM 0 HE1 TRP A 35 2.454 6.670 -14.476 1.00 0.00 H new ATOM 0 HE3 TRP A 35 6.664 4.730 -11.747 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 4.932 7.335 -15.630 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 8.203 5.739 -13.382 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.347 7.029 -15.296 1.00 0.00 H new ATOM 556 N TRP A 36 3.381 4.398 -7.170 1.00 0.00 N ATOM 557 CA TRP A 36 4.064 4.034 -5.938 1.00 0.00 C ATOM 558 C TRP A 36 4.134 2.518 -5.776 1.00 0.00 C ATOM 559 O TRP A 36 3.112 1.829 -5.820 1.00 0.00 O ATOM 560 CB TRP A 36 3.353 4.656 -4.735 1.00 0.00 C ATOM 561 CG TRP A 36 4.224 5.579 -3.940 1.00 0.00 C ATOM 562 CD1 TRP A 36 5.578 5.500 -3.793 1.00 0.00 C ATOM 563 CD2 TRP A 36 3.803 6.719 -3.183 1.00 0.00 C ATOM 564 NE1 TRP A 36 6.025 6.519 -2.987 1.00 0.00 N ATOM 565 CE2 TRP A 36 4.955 7.281 -2.600 1.00 0.00 C ATOM 566 CE3 TRP A 36 2.564 7.319 -2.940 1.00 0.00 C ATOM 567 CZ2 TRP A 36 4.903 8.413 -1.792 1.00 0.00 C ATOM 568 CZ3 TRP A 36 2.514 8.443 -2.136 1.00 0.00 C ATOM 569 CH2 TRP A 36 3.677 8.980 -1.571 1.00 0.00 C ATOM 0 H TRP A 36 2.372 4.515 -7.076 1.00 0.00 H new ATOM 0 HA TRP A 36 5.082 4.420 -5.991 1.00 0.00 H new ATOM 0 HB2 TRP A 36 2.478 5.205 -5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 36 2.992 3.860 -4.084 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.207 4.747 -4.244 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.996 6.681 -2.720 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.662 6.912 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 5.798 8.829 -1.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 1.562 8.914 -1.941 1.00 0.00 H new ATOM 0 HH2 TRP A 36 3.605 9.859 -0.948 1.00 0.00 H new ATOM 580 N ARG A 37 5.348 2.011 -5.586 1.00 0.00 N ATOM 581 CA ARG A 37 5.568 0.578 -5.419 1.00 0.00 C ATOM 582 C ARG A 37 5.628 0.193 -3.946 1.00 0.00 C ATOM 583 O ARG A 37 6.042 0.983 -3.098 1.00 0.00 O ATOM 584 CB ARG A 37 6.857 0.146 -6.118 1.00 0.00 C ATOM 585 CG ARG A 37 6.765 -1.227 -6.767 1.00 0.00 C ATOM 586 CD ARG A 37 6.899 -1.144 -8.280 1.00 0.00 C ATOM 587 NE ARG A 37 7.764 -2.195 -8.809 1.00 0.00 N ATOM 588 CZ ARG A 37 9.094 -2.161 -8.748 1.00 0.00 C ATOM 589 NH1 ARG A 37 9.714 -1.130 -8.184 1.00 0.00 N ATOM 590 NH2 ARG A 37 9.806 -3.160 -9.253 1.00 0.00 N ATOM 0 H ARG A 37 6.198 2.574 -5.544 1.00 0.00 H new ATOM 0 HA ARG A 37 4.723 0.062 -5.875 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.112 0.883 -6.880 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.671 0.142 -5.393 1.00 0.00 H new ATOM 0 HG2 ARG A 37 7.548 -1.872 -6.367 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.811 -1.687 -6.511 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.912 -1.222 -8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 37 7.302 -0.169 -8.556 1.00 0.00 H new ATOM 0 HE ARG A 37 7.324 -3.002 -9.251 1.00 0.00 H new ATOM 0 HH11 ARG A 37 9.171 -0.359 -7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.733 -1.109 -8.140 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.335 -3.953 -9.688 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.825 -3.135 -9.207 1.00 0.00 H new ATOM 604 N GLY A 38 5.206 -1.030 -3.657 1.00 0.00 N ATOM 605 CA GLY A 38 5.210 -1.523 -2.294 1.00 0.00 C ATOM 606 C GLY A 38 4.980 -3.020 -2.230 1.00 0.00 C ATOM 607 O GLY A 38 4.938 -3.691 -3.262 1.00 0.00 O ATOM 0 H GLY A 38 4.858 -1.694 -4.348 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.164 -1.283 -1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.435 -1.013 -1.722 1.00 0.00 H new ATOM 611 N SER A 39 4.827 -3.546 -1.021 1.00 0.00 N ATOM 612 CA SER A 39 4.597 -4.974 -0.836 1.00 0.00 C ATOM 613 C SER A 39 3.481 -5.229 0.172 1.00 0.00 C ATOM 614 O SER A 39 3.326 -4.497 1.149 1.00 0.00 O ATOM 615 CB SER A 39 5.886 -5.675 -0.394 1.00 0.00 C ATOM 616 OG SER A 39 7.009 -4.825 -0.547 1.00 0.00 O ATOM 0 H SER A 39 4.858 -3.007 -0.156 1.00 0.00 H new ATOM 0 HA SER A 39 4.285 -5.388 -1.795 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.798 -5.981 0.648 1.00 0.00 H new ATOM 0 HB3 SER A 39 6.030 -6.582 -0.982 1.00 0.00 H new ATOM 0 HG SER A 39 6.991 -4.132 0.146 1.00 0.00 H new ATOM 622 N TYR A 40 2.703 -6.275 -0.084 1.00 0.00 N ATOM 623 CA TYR A 40 1.594 -6.642 0.785 1.00 0.00 C ATOM 624 C TYR A 40 1.509 -8.159 0.913 1.00 0.00 C ATOM 625 O TYR A 40 1.804 -8.884 -0.036 1.00 0.00 O ATOM 626 CB TYR A 40 0.279 -6.055 0.242 1.00 0.00 C ATOM 627 CG TYR A 40 -0.837 -7.065 0.057 1.00 0.00 C ATOM 628 CD1 TYR A 40 -1.517 -7.589 1.150 1.00 0.00 C ATOM 629 CD2 TYR A 40 -1.210 -7.491 -1.212 1.00 0.00 C ATOM 630 CE1 TYR A 40 -2.535 -8.509 0.984 1.00 0.00 C ATOM 631 CE2 TYR A 40 -2.226 -8.411 -1.386 1.00 0.00 C ATOM 632 CZ TYR A 40 -2.885 -8.916 -0.286 1.00 0.00 C ATOM 633 OH TYR A 40 -3.898 -9.832 -0.455 1.00 0.00 O ATOM 0 H TYR A 40 2.822 -6.886 -0.892 1.00 0.00 H new ATOM 0 HA TYR A 40 1.764 -6.227 1.778 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.064 -5.276 0.923 1.00 0.00 H new ATOM 0 HB3 TYR A 40 0.479 -5.576 -0.716 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.245 -7.272 2.146 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -0.697 -7.096 -2.077 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -3.053 -8.907 1.844 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.502 -8.733 -2.379 1.00 0.00 H new ATOM 0 HH TYR A 40 -4.021 -10.011 -1.411 1.00 0.00 H new ATOM 643 N ASN A 41 1.111 -8.635 2.088 1.00 0.00 N ATOM 644 CA ASN A 41 1.000 -10.069 2.322 1.00 0.00 C ATOM 645 C ASN A 41 0.011 -10.691 1.344 1.00 0.00 C ATOM 646 O ASN A 41 -1.176 -10.833 1.642 1.00 0.00 O ATOM 647 CB ASN A 41 0.564 -10.346 3.757 1.00 0.00 C ATOM 648 CG ASN A 41 1.307 -9.495 4.769 1.00 0.00 C ATOM 649 OD1 ASN A 41 0.741 -8.339 5.097 1.00 0.00 O flip ATOM 650 ND2 ASN A 41 2.375 -9.872 5.249 1.00 0.00 N flip ATOM 0 H ASN A 41 0.862 -8.053 2.888 1.00 0.00 H new ATOM 0 HA ASN A 41 1.980 -10.519 2.164 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -0.506 -10.161 3.849 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.727 -11.399 3.985 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.773 -10.768 4.967 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.863 -9.289 5.929 1.00 0.00 H new ATOM 657 N GLY A 42 0.516 -11.052 0.170 1.00 0.00 N ATOM 658 CA GLY A 42 -0.312 -11.643 -0.856 1.00 0.00 C ATOM 659 C GLY A 42 0.270 -11.448 -2.238 1.00 0.00 C ATOM 660 O GLY A 42 0.247 -12.357 -3.067 1.00 0.00 O ATOM 0 H GLY A 42 1.497 -10.943 -0.088 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.428 -12.709 -0.659 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -1.308 -11.202 -0.817 1.00 0.00 H new ATOM 664 N GLN A 43 0.801 -10.257 -2.479 1.00 0.00 N ATOM 665 CA GLN A 43 1.404 -9.933 -3.767 1.00 0.00 C ATOM 666 C GLN A 43 2.154 -8.604 -3.710 1.00 0.00 C ATOM 667 O GLN A 43 1.942 -7.796 -2.806 1.00 0.00 O ATOM 668 CB GLN A 43 0.336 -9.887 -4.861 1.00 0.00 C ATOM 669 CG GLN A 43 -0.661 -8.752 -4.696 1.00 0.00 C ATOM 670 CD GLN A 43 -1.885 -8.922 -5.568 1.00 0.00 C ATOM 671 OE1 GLN A 43 -1.904 -8.501 -6.724 1.00 0.00 O ATOM 672 NE2 GLN A 43 -2.918 -9.546 -5.013 1.00 0.00 N ATOM 0 H GLN A 43 0.827 -9.497 -1.799 1.00 0.00 H new ATOM 0 HA GLN A 43 2.122 -10.718 -4.004 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.826 -9.790 -5.830 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.204 -10.834 -4.869 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -0.969 -8.692 -3.652 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.174 -7.808 -4.939 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -2.856 -9.878 -4.051 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.773 -9.693 -5.549 1.00 0.00 H new ATOM 681 N ILE A 44 3.033 -8.389 -4.686 1.00 0.00 N ATOM 682 CA ILE A 44 3.820 -7.164 -4.758 1.00 0.00 C ATOM 683 C ILE A 44 3.385 -6.306 -5.945 1.00 0.00 C ATOM 684 O ILE A 44 2.829 -6.809 -6.921 1.00 0.00 O ATOM 685 CB ILE A 44 5.332 -7.485 -4.857 1.00 0.00 C ATOM 686 CG1 ILE A 44 5.916 -7.661 -3.458 1.00 0.00 C ATOM 687 CG2 ILE A 44 6.094 -6.399 -5.611 1.00 0.00 C ATOM 688 CD1 ILE A 44 5.360 -8.858 -2.717 1.00 0.00 C ATOM 0 H ILE A 44 3.217 -9.051 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 44 3.644 -6.601 -3.841 1.00 0.00 H new ATOM 0 HB ILE A 44 5.441 -8.413 -5.419 1.00 0.00 H new ATOM 0 HG12 ILE A 44 6.999 -7.762 -3.535 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.721 -6.761 -2.876 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.151 -6.662 -5.658 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.696 -6.311 -6.622 1.00 0.00 H new ATOM 0 HG23 ILE A 44 5.980 -5.447 -5.092 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.820 -8.921 -1.731 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.281 -8.749 -2.608 1.00 0.00 H new ATOM 0 HD13 ILE A 44 5.579 -9.767 -3.278 1.00 0.00 H new ATOM 700 N GLY A 45 3.648 -5.006 -5.850 1.00 0.00 N ATOM 701 CA GLY A 45 3.283 -4.094 -6.919 1.00 0.00 C ATOM 702 C GLY A 45 3.069 -2.678 -6.423 1.00 0.00 C ATOM 703 O GLY A 45 3.837 -2.176 -5.603 1.00 0.00 O ATOM 0 H GLY A 45 4.107 -4.568 -5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 45 4.066 -4.096 -7.678 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.372 -4.449 -7.400 1.00 0.00 H new ATOM 707 N TRP A 46 2.021 -2.033 -6.923 1.00 0.00 N ATOM 708 CA TRP A 46 1.703 -0.668 -6.529 1.00 0.00 C ATOM 709 C TRP A 46 0.603 -0.659 -5.476 1.00 0.00 C ATOM 710 O TRP A 46 -0.286 -1.508 -5.496 1.00 0.00 O ATOM 711 CB TRP A 46 1.274 0.146 -7.750 1.00 0.00 C ATOM 712 CG TRP A 46 2.382 0.339 -8.739 1.00 0.00 C ATOM 713 CD1 TRP A 46 3.278 1.365 -8.769 1.00 0.00 C ATOM 714 CD2 TRP A 46 2.713 -0.519 -9.836 1.00 0.00 C ATOM 715 NE1 TRP A 46 4.148 1.202 -9.820 1.00 0.00 N ATOM 716 CE2 TRP A 46 3.821 0.052 -10.491 1.00 0.00 C ATOM 717 CE3 TRP A 46 2.179 -1.714 -10.329 1.00 0.00 C ATOM 718 CZ2 TRP A 46 4.405 -0.534 -11.612 1.00 0.00 C ATOM 719 CZ3 TRP A 46 2.759 -2.293 -11.441 1.00 0.00 C ATOM 720 CH2 TRP A 46 3.863 -1.704 -12.072 1.00 0.00 C ATOM 0 H TRP A 46 1.377 -2.436 -7.603 1.00 0.00 H new ATOM 0 HA TRP A 46 2.596 -0.214 -6.099 1.00 0.00 H new ATOM 0 HB2 TRP A 46 0.439 -0.355 -8.240 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.912 1.121 -7.422 1.00 0.00 H new ATOM 0 HD1 TRP A 46 3.301 2.187 -8.069 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.912 1.833 -10.061 1.00 0.00 H new ATOM 0 HE3 TRP A 46 1.329 -2.176 -9.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 5.255 -0.081 -12.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 2.355 -3.215 -11.831 1.00 0.00 H new ATOM 0 HH2 TRP A 46 4.295 -2.183 -12.938 1.00 0.00 H new ATOM 731 N PHE A 47 0.673 0.290 -4.546 1.00 0.00 N ATOM 732 CA PHE A 47 -0.323 0.377 -3.478 1.00 0.00 C ATOM 733 C PHE A 47 -0.683 1.824 -3.143 1.00 0.00 C ATOM 734 O PHE A 47 0.174 2.608 -2.738 1.00 0.00 O ATOM 735 CB PHE A 47 0.197 -0.314 -2.219 1.00 0.00 C ATOM 736 CG PHE A 47 -0.870 -0.986 -1.403 1.00 0.00 C ATOM 737 CD1 PHE A 47 -1.875 -0.246 -0.804 1.00 0.00 C ATOM 738 CD2 PHE A 47 -0.860 -2.362 -1.229 1.00 0.00 C ATOM 739 CE1 PHE A 47 -2.853 -0.865 -0.047 1.00 0.00 C ATOM 740 CE2 PHE A 47 -1.833 -2.986 -0.473 1.00 0.00 C ATOM 741 CZ PHE A 47 -2.831 -2.236 0.119 1.00 0.00 C ATOM 0 H PHE A 47 1.401 1.004 -4.508 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.223 -0.121 -3.837 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.941 -1.057 -2.506 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.705 0.423 -1.597 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -1.896 0.827 -0.929 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -0.082 -2.953 -1.690 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.633 -0.277 0.414 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.814 -4.058 -0.345 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.593 -2.721 0.711 1.00 0.00 H new ATOM 751 N PRO A 48 -1.967 2.192 -3.296 1.00 0.00 N ATOM 752 CA PRO A 48 -2.448 3.547 -2.997 1.00 0.00 C ATOM 753 C PRO A 48 -2.027 4.042 -1.614 1.00 0.00 C ATOM 754 O PRO A 48 -2.760 3.884 -0.634 1.00 0.00 O ATOM 755 CB PRO A 48 -3.960 3.387 -3.053 1.00 0.00 C ATOM 756 CG PRO A 48 -4.180 2.282 -4.018 1.00 0.00 C ATOM 757 CD PRO A 48 -3.058 1.316 -3.770 1.00 0.00 C ATOM 0 HA PRO A 48 -2.040 4.282 -3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -4.370 3.146 -2.072 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -4.445 4.306 -3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -5.149 1.809 -3.861 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -4.166 2.647 -5.045 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -3.327 0.567 -3.025 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -2.780 0.779 -4.677 1.00 0.00 H new ATOM 765 N SER A 49 -0.853 4.662 -1.541 1.00 0.00 N ATOM 766 CA SER A 49 -0.349 5.196 -0.279 1.00 0.00 C ATOM 767 C SER A 49 -1.298 6.251 0.294 1.00 0.00 C ATOM 768 O SER A 49 -1.169 6.654 1.456 1.00 0.00 O ATOM 769 CB SER A 49 1.042 5.797 -0.479 1.00 0.00 C ATOM 770 OG SER A 49 2.009 5.116 0.302 1.00 0.00 O ATOM 0 H SER A 49 -0.234 4.807 -2.338 1.00 0.00 H new ATOM 0 HA SER A 49 -0.286 4.373 0.433 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.317 5.743 -1.532 1.00 0.00 H new ATOM 0 HB3 SER A 49 1.028 6.852 -0.207 1.00 0.00 H new ATOM 0 HG SER A 49 2.890 5.518 0.155 1.00 0.00 H new ATOM 776 N ASN A 50 -2.254 6.692 -0.529 1.00 0.00 N ATOM 777 CA ASN A 50 -3.227 7.700 -0.135 1.00 0.00 C ATOM 778 C ASN A 50 -3.781 7.450 1.263 1.00 0.00 C ATOM 779 O ASN A 50 -4.227 8.384 1.930 1.00 0.00 O ATOM 780 CB ASN A 50 -4.359 7.736 -1.151 1.00 0.00 C ATOM 781 CG ASN A 50 -4.145 8.788 -2.216 1.00 0.00 C ATOM 782 OD1 ASN A 50 -3.567 8.517 -3.268 1.00 0.00 O ATOM 783 ND2 ASN A 50 -4.612 9.999 -1.945 1.00 0.00 N ATOM 0 H ASN A 50 -2.370 6.357 -1.485 1.00 0.00 H new ATOM 0 HA ASN A 50 -2.719 8.664 -0.110 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -4.451 6.758 -1.624 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -5.300 7.931 -0.636 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -4.498 10.753 -2.623 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -5.085 10.177 -1.059 1.00 0.00 H new ATOM 790 N TYR A 51 -3.734 6.203 1.724 1.00 0.00 N ATOM 791 CA TYR A 51 -4.215 5.894 3.060 1.00 0.00 C ATOM 792 C TYR A 51 -3.380 4.788 3.686 1.00 0.00 C ATOM 793 O TYR A 51 -3.875 3.702 3.987 1.00 0.00 O ATOM 794 CB TYR A 51 -5.688 5.474 3.012 1.00 0.00 C ATOM 795 CG TYR A 51 -6.485 6.168 1.929 1.00 0.00 C ATOM 796 CD1 TYR A 51 -6.456 5.708 0.618 1.00 0.00 C ATOM 797 CD2 TYR A 51 -7.263 7.282 2.216 1.00 0.00 C ATOM 798 CE1 TYR A 51 -7.179 6.337 -0.376 1.00 0.00 C ATOM 799 CE2 TYR A 51 -7.992 7.918 1.227 1.00 0.00 C ATOM 800 CZ TYR A 51 -7.946 7.442 -0.066 1.00 0.00 C ATOM 801 OH TYR A 51 -8.668 8.072 -1.053 1.00 0.00 O ATOM 0 H TYR A 51 -3.374 5.405 1.200 1.00 0.00 H new ATOM 0 HA TYR A 51 -4.123 6.791 3.673 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -5.744 4.396 2.858 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -6.147 5.682 3.978 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.857 4.843 0.372 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -7.300 7.658 3.228 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.145 5.967 -1.390 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.594 8.782 1.467 1.00 0.00 H new ATOM 0 HH TYR A 51 -9.154 8.831 -0.669 1.00 0.00 H new ATOM 811 N VAL A 52 -2.108 5.093 3.891 1.00 0.00 N ATOM 812 CA VAL A 52 -1.179 4.158 4.498 1.00 0.00 C ATOM 813 C VAL A 52 -0.259 4.861 5.494 1.00 0.00 C ATOM 814 O VAL A 52 0.046 6.044 5.340 1.00 0.00 O ATOM 815 CB VAL A 52 -0.344 3.435 3.423 1.00 0.00 C ATOM 816 CG1 VAL A 52 -1.214 3.141 2.213 1.00 0.00 C ATOM 817 CG2 VAL A 52 0.874 4.258 3.019 1.00 0.00 C ATOM 0 H VAL A 52 -1.694 5.991 3.642 1.00 0.00 H new ATOM 0 HA VAL A 52 -1.767 3.417 5.039 1.00 0.00 H new ATOM 0 HB VAL A 52 0.019 2.497 3.842 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.621 2.630 1.454 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.048 2.506 2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.597 4.076 1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.441 3.720 2.260 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.548 5.217 2.617 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.505 4.426 3.892 1.00 0.00 H new ATOM 827 N LEU A 53 0.193 4.126 6.504 1.00 0.00 N ATOM 828 CA LEU A 53 1.091 4.682 7.506 1.00 0.00 C ATOM 829 C LEU A 53 2.495 4.141 7.294 1.00 0.00 C ATOM 830 O LEU A 53 2.717 2.944 7.390 1.00 0.00 O ATOM 831 CB LEU A 53 0.606 4.313 8.909 1.00 0.00 C ATOM 832 CG LEU A 53 0.106 5.474 9.774 1.00 0.00 C ATOM 833 CD1 LEU A 53 0.938 6.731 9.547 1.00 0.00 C ATOM 834 CD2 LEU A 53 -1.365 5.736 9.490 1.00 0.00 C ATOM 0 H LEU A 53 -0.048 3.146 6.649 1.00 0.00 H new ATOM 0 HA LEU A 53 1.102 5.767 7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.199 3.584 8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.422 3.819 9.436 1.00 0.00 H new ATOM 0 HG LEU A 53 0.217 5.196 10.822 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.558 7.537 10.175 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.978 6.530 9.804 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.873 7.026 8.500 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -1.713 6.563 10.109 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.493 5.991 8.438 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.945 4.842 9.719 1.00 0.00 H new ATOM 846 N GLU A 54 3.439 5.022 7.003 1.00 0.00 N ATOM 847 CA GLU A 54 4.817 4.605 6.771 1.00 0.00 C ATOM 848 C GLU A 54 5.719 4.948 7.948 1.00 0.00 C ATOM 849 O GLU A 54 5.682 6.061 8.475 1.00 0.00 O ATOM 850 CB GLU A 54 5.354 5.257 5.501 1.00 0.00 C ATOM 851 CG GLU A 54 6.777 4.850 5.164 1.00 0.00 C ATOM 852 CD GLU A 54 7.776 5.963 5.407 1.00 0.00 C ATOM 853 OE1 GLU A 54 7.541 6.784 6.320 1.00 0.00 O ATOM 854 OE2 GLU A 54 8.795 6.015 4.686 1.00 0.00 O ATOM 0 H GLU A 54 3.280 6.026 6.922 1.00 0.00 H new ATOM 0 HA GLU A 54 4.817 3.521 6.656 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.703 4.997 4.666 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.312 6.340 5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.054 3.982 5.762 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.826 4.545 4.119 1.00 0.00 H new ATOM 861 N GLU A 55 6.534 3.980 8.346 1.00 0.00 N ATOM 862 CA GLU A 55 7.459 4.153 9.450 1.00 0.00 C ATOM 863 C GLU A 55 8.895 3.942 8.978 1.00 0.00 C ATOM 864 O GLU A 55 9.256 2.854 8.529 1.00 0.00 O ATOM 865 CB GLU A 55 7.124 3.166 10.568 1.00 0.00 C ATOM 866 CG GLU A 55 5.641 2.922 10.732 1.00 0.00 C ATOM 867 CD GLU A 55 5.209 2.875 12.185 1.00 0.00 C ATOM 868 OE1 GLU A 55 5.813 2.105 12.960 1.00 0.00 O ATOM 869 OE2 GLU A 55 4.265 3.610 12.548 1.00 0.00 O ATOM 0 H GLU A 55 6.570 3.057 7.912 1.00 0.00 H new ATOM 0 HA GLU A 55 7.364 5.170 9.831 1.00 0.00 H new ATOM 0 HB2 GLU A 55 7.620 2.217 10.365 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.528 3.542 11.508 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.089 3.710 10.219 1.00 0.00 H new ATOM 0 HG3 GLU A 55 5.377 1.981 10.249 1.00 0.00 H new ATOM 876 N VAL A 56 9.710 4.988 9.075 1.00 0.00 N ATOM 877 CA VAL A 56 11.100 4.908 8.649 1.00 0.00 C ATOM 878 C VAL A 56 11.962 4.228 9.706 1.00 0.00 C ATOM 879 O VAL A 56 12.616 4.893 10.511 1.00 0.00 O ATOM 880 CB VAL A 56 11.687 6.302 8.345 1.00 0.00 C ATOM 881 CG1 VAL A 56 12.952 6.175 7.507 1.00 0.00 C ATOM 882 CG2 VAL A 56 10.662 7.178 7.640 1.00 0.00 C ATOM 0 H VAL A 56 9.432 5.897 9.444 1.00 0.00 H new ATOM 0 HA VAL A 56 11.110 4.314 7.735 1.00 0.00 H new ATOM 0 HB VAL A 56 11.946 6.778 9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.353 7.167 7.301 1.00 0.00 H new ATOM 0 HG12 VAL A 56 13.692 5.590 8.052 1.00 0.00 H new ATOM 0 HG13 VAL A 56 12.717 5.677 6.566 1.00 0.00 H new ATOM 0 HG21 VAL A 56 11.098 8.156 7.436 1.00 0.00 H new ATOM 0 HG22 VAL A 56 10.367 6.709 6.701 1.00 0.00 H new ATOM 0 HG23 VAL A 56 9.786 7.297 8.277 1.00 0.00 H new ATOM 892 N ASP A 57 11.959 2.900 9.699 1.00 0.00 N ATOM 893 CA ASP A 57 12.743 2.128 10.654 1.00 0.00 C ATOM 894 C ASP A 57 14.234 2.386 10.467 1.00 0.00 C ATOM 895 O ASP A 57 14.948 2.498 11.486 1.00 0.00 O ATOM 896 CB ASP A 57 12.448 0.635 10.500 1.00 0.00 C ATOM 897 CG ASP A 57 13.172 -0.205 11.532 1.00 0.00 C ATOM 898 OD1 ASP A 57 13.597 0.357 12.563 1.00 0.00 O ATOM 899 OD2 ASP A 57 13.313 -1.426 11.310 1.00 0.00 O ATOM 900 OXT ASP A 57 14.676 2.474 9.302 1.00 0.00 O ATOM 0 H ASP A 57 11.421 2.335 9.041 1.00 0.00 H new ATOM 0 HA ASP A 57 12.461 2.444 11.658 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.374 0.468 10.588 1.00 0.00 H new ATOM 0 HB3 ASP A 57 12.740 0.311 9.501 1.00 0.00 H new