USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 381 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 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.146 (180deg=-0.271) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0705) USER MOD Single : A 28 ASN : amide:sc= -0.275 X(o=-0.27,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.769 -16.344 -10.293 1.00 0.00 N ATOM 2 CA MET A 1 20.579 -16.299 -11.136 1.00 0.00 C ATOM 3 C MET A 1 19.466 -15.503 -10.462 1.00 0.00 C ATOM 4 O MET A 1 18.286 -15.808 -10.625 1.00 0.00 O ATOM 5 CB MET A 1 20.093 -17.717 -11.444 1.00 0.00 C ATOM 6 CG MET A 1 19.775 -18.534 -10.202 1.00 0.00 C ATOM 7 SD MET A 1 21.154 -19.572 -9.682 1.00 0.00 S ATOM 8 CE MET A 1 20.440 -21.204 -9.872 1.00 0.00 C ATOM 0 H1 MET A 1 22.144 -17.314 -10.274 1.00 0.00 H new ATOM 0 H2 MET A 1 22.491 -15.701 -10.677 1.00 0.00 H new ATOM 0 H3 MET A 1 21.521 -16.049 -9.327 1.00 0.00 H new ATOM 0 HA MET A 1 20.843 -15.802 -12.069 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.202 -17.659 -12.069 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.856 -18.236 -12.025 1.00 0.00 H new ATOM 0 HG2 MET A 1 19.505 -17.861 -9.388 1.00 0.00 H new ATOM 0 HG3 MET A 1 18.906 -19.162 -10.398 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.174 -21.958 -9.588 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.562 -21.294 -9.233 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.149 -21.355 -10.911 1.00 0.00 H new ATOM 18 N GLY A 2 19.851 -14.480 -9.705 1.00 0.00 N ATOM 19 CA GLY A 2 18.873 -13.656 -9.019 1.00 0.00 C ATOM 20 C GLY A 2 19.261 -12.191 -8.999 1.00 0.00 C ATOM 21 O GLY A 2 20.445 -11.854 -9.004 1.00 0.00 O ATOM 0 H GLY A 2 20.822 -14.207 -9.555 1.00 0.00 H new ATOM 0 HA2 GLY A 2 17.904 -13.765 -9.507 1.00 0.00 H new ATOM 0 HA3 GLY A 2 18.757 -14.012 -7.995 1.00 0.00 H new ATOM 25 N VAL A 3 18.261 -11.315 -8.977 1.00 0.00 N ATOM 26 CA VAL A 3 18.503 -9.878 -8.956 1.00 0.00 C ATOM 27 C VAL A 3 18.020 -9.257 -7.650 1.00 0.00 C ATOM 28 O VAL A 3 17.045 -8.506 -7.632 1.00 0.00 O ATOM 29 CB VAL A 3 17.805 -9.174 -10.135 1.00 0.00 C ATOM 30 CG1 VAL A 3 18.541 -9.456 -11.437 1.00 0.00 C ATOM 31 CG2 VAL A 3 16.351 -9.610 -10.230 1.00 0.00 C ATOM 0 H VAL A 3 17.275 -11.576 -8.973 1.00 0.00 H new ATOM 0 HA VAL A 3 19.580 -9.738 -9.044 1.00 0.00 H new ATOM 0 HB VAL A 3 17.827 -8.099 -9.958 1.00 0.00 H new ATOM 0 HG11 VAL A 3 18.034 -8.951 -12.259 1.00 0.00 H new ATOM 0 HG12 VAL A 3 19.565 -9.090 -11.363 1.00 0.00 H new ATOM 0 HG13 VAL A 3 18.552 -10.530 -11.623 1.00 0.00 H new ATOM 0 HG21 VAL A 3 15.873 -9.103 -11.068 1.00 0.00 H new ATOM 0 HG22 VAL A 3 16.304 -10.688 -10.383 1.00 0.00 H new ATOM 0 HG23 VAL A 3 15.833 -9.352 -9.307 1.00 0.00 H new ATOM 41 N SER A 4 18.708 -9.577 -6.559 1.00 0.00 N ATOM 42 CA SER A 4 18.347 -9.054 -5.247 1.00 0.00 C ATOM 43 C SER A 4 16.893 -9.374 -4.916 1.00 0.00 C ATOM 44 O SER A 4 16.114 -8.487 -4.566 1.00 0.00 O ATOM 45 CB SER A 4 18.573 -7.541 -5.198 1.00 0.00 C ATOM 46 OG SER A 4 18.706 -7.089 -3.862 1.00 0.00 O ATOM 0 H SER A 4 19.519 -10.196 -6.558 1.00 0.00 H new ATOM 0 HA SER A 4 18.984 -9.533 -4.504 1.00 0.00 H new ATOM 0 HB2 SER A 4 19.470 -7.285 -5.763 1.00 0.00 H new ATOM 0 HB3 SER A 4 17.738 -7.030 -5.677 1.00 0.00 H new ATOM 0 HG SER A 4 18.851 -6.120 -3.857 1.00 0.00 H new ATOM 52 N VAL A 5 16.533 -10.649 -5.029 1.00 0.00 N ATOM 53 CA VAL A 5 15.173 -11.088 -4.741 1.00 0.00 C ATOM 54 C VAL A 5 15.112 -11.865 -3.431 1.00 0.00 C ATOM 55 O VAL A 5 14.224 -12.693 -3.230 1.00 0.00 O ATOM 56 CB VAL A 5 14.616 -11.969 -5.875 1.00 0.00 C ATOM 57 CG1 VAL A 5 14.455 -11.158 -7.152 1.00 0.00 C ATOM 58 CG2 VAL A 5 15.519 -13.171 -6.107 1.00 0.00 C ATOM 0 H VAL A 5 17.165 -11.396 -5.318 1.00 0.00 H new ATOM 0 HA VAL A 5 14.562 -10.190 -4.655 1.00 0.00 H new ATOM 0 HB VAL A 5 13.632 -12.334 -5.579 1.00 0.00 H new ATOM 0 HG11 VAL A 5 14.060 -11.797 -7.942 1.00 0.00 H new ATOM 0 HG12 VAL A 5 13.765 -10.333 -6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.424 -10.762 -7.456 1.00 0.00 H new ATOM 0 HG21 VAL A 5 15.111 -13.783 -6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 5 16.517 -12.829 -6.382 1.00 0.00 H new ATOM 0 HG23 VAL A 5 15.577 -13.764 -5.194 1.00 0.00 H new ATOM 68 N MET A 6 16.063 -11.593 -2.543 1.00 0.00 N ATOM 69 CA MET A 6 16.116 -12.267 -1.251 1.00 0.00 C ATOM 70 C MET A 6 15.142 -11.630 -0.265 1.00 0.00 C ATOM 71 O MET A 6 14.675 -12.282 0.668 1.00 0.00 O ATOM 72 CB MET A 6 17.537 -12.218 -0.685 1.00 0.00 C ATOM 73 CG MET A 6 18.547 -13.000 -1.509 1.00 0.00 C ATOM 74 SD MET A 6 18.577 -14.753 -1.090 1.00 0.00 S ATOM 75 CE MET A 6 19.582 -15.402 -2.423 1.00 0.00 C ATOM 0 H MET A 6 16.806 -10.911 -2.694 1.00 0.00 H new ATOM 0 HA MET A 6 15.827 -13.307 -1.400 1.00 0.00 H new ATOM 0 HB2 MET A 6 17.859 -11.178 -0.622 1.00 0.00 H new ATOM 0 HB3 MET A 6 17.528 -12.611 0.332 1.00 0.00 H new ATOM 0 HG2 MET A 6 18.312 -12.887 -2.567 1.00 0.00 H new ATOM 0 HG3 MET A 6 19.540 -12.577 -1.356 1.00 0.00 H new ATOM 0 HE1 MET A 6 19.693 -16.480 -2.304 1.00 0.00 H new ATOM 0 HE2 MET A 6 19.101 -15.190 -3.378 1.00 0.00 H new ATOM 0 HE3 MET A 6 20.565 -14.931 -2.400 1.00 0.00 H new ATOM 85 N GLU A 7 14.839 -10.354 -0.480 1.00 0.00 N ATOM 86 CA GLU A 7 13.920 -9.630 0.391 1.00 0.00 C ATOM 87 C GLU A 7 12.527 -9.558 -0.228 1.00 0.00 C ATOM 88 O GLU A 7 11.525 -9.482 0.482 1.00 0.00 O ATOM 89 CB GLU A 7 14.444 -8.218 0.661 1.00 0.00 C ATOM 90 CG GLU A 7 13.456 -7.334 1.403 1.00 0.00 C ATOM 91 CD GLU A 7 14.136 -6.228 2.187 1.00 0.00 C ATOM 92 OE1 GLU A 7 14.849 -5.413 1.564 1.00 0.00 O ATOM 93 OE2 GLU A 7 13.956 -6.178 3.421 1.00 0.00 O ATOM 0 H GLU A 7 15.216 -9.800 -1.249 1.00 0.00 H new ATOM 0 HA GLU A 7 13.852 -10.171 1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.365 -8.286 1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 7 14.699 -7.746 -0.288 1.00 0.00 H new ATOM 0 HG2 GLU A 7 12.761 -6.893 0.688 1.00 0.00 H new ATOM 0 HG3 GLU A 7 12.866 -7.947 2.084 1.00 0.00 H new ATOM 100 N ALA A 8 12.474 -9.582 -1.555 1.00 0.00 N ATOM 101 CA ALA A 8 11.205 -9.521 -2.270 1.00 0.00 C ATOM 102 C ALA A 8 10.427 -10.825 -2.121 1.00 0.00 C ATOM 103 O ALA A 8 9.244 -10.817 -1.780 1.00 0.00 O ATOM 104 CB ALA A 8 11.441 -9.212 -3.741 1.00 0.00 C ATOM 0 H ALA A 8 13.295 -9.643 -2.157 1.00 0.00 H new ATOM 0 HA ALA A 8 10.609 -8.720 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 8 10.484 -9.170 -4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 8 11.948 -8.252 -3.834 1.00 0.00 H new ATOM 0 HB3 ALA A 8 12.060 -9.993 -4.182 1.00 0.00 H new ATOM 110 N ILE A 9 11.099 -11.942 -2.377 1.00 0.00 N ATOM 111 CA ILE A 9 10.471 -13.253 -2.271 1.00 0.00 C ATOM 112 C ILE A 9 10.356 -13.691 -0.815 1.00 0.00 C ATOM 113 O ILE A 9 9.256 -13.807 -0.274 1.00 0.00 O ATOM 114 CB ILE A 9 11.257 -14.319 -3.056 1.00 0.00 C ATOM 115 CG1 ILE A 9 11.432 -13.886 -4.513 1.00 0.00 C ATOM 116 CG2 ILE A 9 10.548 -15.663 -2.979 1.00 0.00 C ATOM 117 CD1 ILE A 9 12.235 -14.864 -5.342 1.00 0.00 C ATOM 0 H ILE A 9 12.079 -11.965 -2.659 1.00 0.00 H new ATOM 0 HA ILE A 9 9.473 -13.161 -2.700 1.00 0.00 H new ATOM 0 HB ILE A 9 12.245 -14.424 -2.607 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.449 -13.759 -4.966 1.00 0.00 H new ATOM 0 HG13 ILE A 9 11.922 -12.913 -4.538 1.00 0.00 H new ATOM 0 HG21 ILE A 9 11.116 -16.406 -3.539 1.00 0.00 H new ATOM 0 HG22 ILE A 9 10.471 -15.974 -1.937 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.549 -15.572 -3.406 1.00 0.00 H new ATOM 0 HD11 ILE A 9 12.319 -14.492 -6.363 1.00 0.00 H new ATOM 0 HD12 ILE A 9 13.231 -14.973 -4.913 1.00 0.00 H new ATOM 0 HD13 ILE A 9 11.735 -15.832 -5.348 1.00 0.00 H new ATOM 129 N LYS A 10 11.500 -13.931 -0.183 1.00 0.00 N ATOM 130 CA LYS A 10 11.531 -14.354 1.212 1.00 0.00 C ATOM 131 C LYS A 10 11.486 -13.149 2.146 1.00 0.00 C ATOM 132 O LYS A 10 12.516 -12.546 2.445 1.00 0.00 O ATOM 133 CB LYS A 10 12.788 -15.181 1.489 1.00 0.00 C ATOM 134 CG LYS A 10 12.852 -15.736 2.901 1.00 0.00 C ATOM 135 CD LYS A 10 14.000 -16.719 3.062 1.00 0.00 C ATOM 136 CE LYS A 10 15.309 -16.004 3.359 1.00 0.00 C ATOM 137 NZ LYS A 10 16.398 -16.959 3.702 1.00 0.00 N ATOM 0 H LYS A 10 12.419 -13.840 -0.616 1.00 0.00 H new ATOM 0 HA LYS A 10 10.651 -14.970 1.398 1.00 0.00 H new ATOM 0 HB2 LYS A 10 12.832 -16.008 0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 10 13.667 -14.561 1.311 1.00 0.00 H new ATOM 0 HG2 LYS A 10 12.971 -14.917 3.610 1.00 0.00 H new ATOM 0 HG3 LYS A 10 11.911 -16.231 3.141 1.00 0.00 H new ATOM 0 HD2 LYS A 10 13.773 -17.415 3.869 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.105 -17.309 2.152 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.604 -15.413 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 10 15.163 -15.308 4.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.273 -16.432 3.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 16.128 -17.506 4.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 16.555 -17.607 2.904 1.00 0.00 H new ATOM 151 N GLU A 11 10.286 -12.805 2.605 1.00 0.00 N ATOM 152 CA GLU A 11 10.109 -11.672 3.505 1.00 0.00 C ATOM 153 C GLU A 11 10.980 -11.826 4.750 1.00 0.00 C ATOM 154 O GLU A 11 10.654 -12.589 5.659 1.00 0.00 O ATOM 155 CB GLU A 11 8.640 -11.539 3.911 1.00 0.00 C ATOM 156 CG GLU A 11 8.339 -10.279 4.705 1.00 0.00 C ATOM 157 CD GLU A 11 8.238 -9.047 3.827 1.00 0.00 C ATOM 158 OE1 GLU A 11 9.276 -8.626 3.274 1.00 0.00 O ATOM 159 OE2 GLU A 11 7.123 -8.503 3.693 1.00 0.00 O ATOM 0 H GLU A 11 9.423 -13.295 2.368 1.00 0.00 H new ATOM 0 HA GLU A 11 10.415 -10.769 2.976 1.00 0.00 H new ATOM 0 HB2 GLU A 11 8.022 -11.549 3.013 1.00 0.00 H new ATOM 0 HB3 GLU A 11 8.356 -12.408 4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.403 -10.411 5.248 1.00 0.00 H new ATOM 0 HG3 GLU A 11 9.121 -10.127 5.449 1.00 0.00 H new ATOM 166 N VAL A 12 12.089 -11.094 4.782 1.00 0.00 N ATOM 167 CA VAL A 12 13.007 -11.148 5.914 1.00 0.00 C ATOM 168 C VAL A 12 12.695 -10.051 6.926 1.00 0.00 C ATOM 169 O VAL A 12 12.403 -8.914 6.557 1.00 0.00 O ATOM 170 CB VAL A 12 14.471 -11.008 5.457 1.00 0.00 C ATOM 171 CG1 VAL A 12 15.420 -11.250 6.620 1.00 0.00 C ATOM 172 CG2 VAL A 12 14.764 -11.964 4.311 1.00 0.00 C ATOM 0 H VAL A 12 12.373 -10.457 4.038 1.00 0.00 H new ATOM 0 HA VAL A 12 12.873 -12.122 6.384 1.00 0.00 H new ATOM 0 HB VAL A 12 14.626 -9.990 5.100 1.00 0.00 H new ATOM 0 HG11 VAL A 12 16.449 -11.147 6.277 1.00 0.00 H new ATOM 0 HG12 VAL A 12 15.225 -10.521 7.407 1.00 0.00 H new ATOM 0 HG13 VAL A 12 15.267 -12.256 7.011 1.00 0.00 H new ATOM 0 HG21 VAL A 12 15.803 -11.852 4.000 1.00 0.00 H new ATOM 0 HG22 VAL A 12 14.592 -12.989 4.639 1.00 0.00 H new ATOM 0 HG23 VAL A 12 14.108 -11.737 3.471 1.00 0.00 H new ATOM 182 N LYS A 13 12.759 -10.400 8.207 1.00 0.00 N ATOM 183 CA LYS A 13 12.486 -9.446 9.275 1.00 0.00 C ATOM 184 C LYS A 13 13.771 -9.058 9.999 1.00 0.00 C ATOM 185 O LYS A 13 13.813 -8.057 10.716 1.00 0.00 O ATOM 186 CB LYS A 13 11.485 -10.037 10.271 1.00 0.00 C ATOM 187 CG LYS A 13 11.841 -11.441 10.729 1.00 0.00 C ATOM 188 CD LYS A 13 10.907 -11.922 11.827 1.00 0.00 C ATOM 189 CE LYS A 13 9.563 -12.360 11.264 1.00 0.00 C ATOM 190 NZ LYS A 13 8.567 -12.616 12.341 1.00 0.00 N ATOM 0 H LYS A 13 12.998 -11.337 8.530 1.00 0.00 H new ATOM 0 HA LYS A 13 12.057 -8.550 8.827 1.00 0.00 H new ATOM 0 HB2 LYS A 13 11.423 -9.384 11.142 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.496 -10.053 9.813 1.00 0.00 H new ATOM 0 HG2 LYS A 13 11.791 -12.125 9.882 1.00 0.00 H new ATOM 0 HG3 LYS A 13 12.869 -11.457 11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.368 -12.754 12.360 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.756 -11.123 12.553 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.182 -11.590 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.696 -13.264 10.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 7.665 -12.912 11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 8.918 -13.368 12.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.421 -11.747 12.893 1.00 0.00 H new ATOM 204 N LEU A 14 14.817 -9.853 9.807 1.00 0.00 N ATOM 205 CA LEU A 14 16.105 -9.591 10.440 1.00 0.00 C ATOM 206 C LEU A 14 16.685 -8.263 9.966 1.00 0.00 C ATOM 207 O LEU A 14 17.001 -7.389 10.773 1.00 0.00 O ATOM 208 CB LEU A 14 17.085 -10.726 10.137 1.00 0.00 C ATOM 209 CG LEU A 14 17.031 -11.929 11.080 1.00 0.00 C ATOM 210 CD1 LEU A 14 17.434 -11.522 12.489 1.00 0.00 C ATOM 211 CD2 LEU A 14 15.640 -12.546 11.078 1.00 0.00 C ATOM 0 H LEU A 14 14.799 -10.685 9.218 1.00 0.00 H new ATOM 0 HA LEU A 14 15.947 -9.533 11.517 1.00 0.00 H new ATOM 0 HB2 LEU A 14 16.901 -11.077 9.122 1.00 0.00 H new ATOM 0 HB3 LEU A 14 18.097 -10.320 10.155 1.00 0.00 H new ATOM 0 HG LEU A 14 17.739 -12.677 10.724 1.00 0.00 H new ATOM 0 HD11 LEU A 14 17.389 -12.391 13.146 1.00 0.00 H new ATOM 0 HD12 LEU A 14 18.450 -11.128 12.477 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.752 -10.755 12.855 1.00 0.00 H new ATOM 0 HD21 LEU A 14 15.620 -13.401 11.754 1.00 0.00 H new ATOM 0 HD22 LEU A 14 14.913 -11.805 11.409 1.00 0.00 H new ATOM 0 HD23 LEU A 14 15.390 -12.876 10.070 1.00 0.00 H new ATOM 223 N ALA A 15 16.820 -8.117 8.652 1.00 0.00 N ATOM 224 CA ALA A 15 17.357 -6.894 8.070 1.00 0.00 C ATOM 225 C ALA A 15 18.712 -6.546 8.678 1.00 0.00 C ATOM 226 O ALA A 15 19.091 -5.377 8.743 1.00 0.00 O ATOM 227 CB ALA A 15 16.380 -5.744 8.261 1.00 0.00 C ATOM 0 H ALA A 15 16.565 -8.831 7.970 1.00 0.00 H new ATOM 0 HA ALA A 15 17.499 -7.061 7.002 1.00 0.00 H new ATOM 0 HB1 ALA A 15 16.795 -4.837 7.821 1.00 0.00 H new ATOM 0 HB2 ALA A 15 15.435 -5.984 7.773 1.00 0.00 H new ATOM 0 HB3 ALA A 15 16.209 -5.585 9.326 1.00 0.00 H new ATOM 233 N GLU A 16 19.436 -7.568 9.123 1.00 0.00 N ATOM 234 CA GLU A 16 20.748 -7.369 9.727 1.00 0.00 C ATOM 235 C GLU A 16 21.795 -7.056 8.662 1.00 0.00 C ATOM 236 O GLU A 16 22.779 -6.366 8.929 1.00 0.00 O ATOM 237 CB GLU A 16 21.164 -8.611 10.518 1.00 0.00 C ATOM 238 CG GLU A 16 21.179 -9.884 9.689 1.00 0.00 C ATOM 239 CD GLU A 16 21.813 -11.050 10.422 1.00 0.00 C ATOM 240 OE1 GLU A 16 23.054 -11.178 10.375 1.00 0.00 O ATOM 241 OE2 GLU A 16 21.066 -11.835 11.043 1.00 0.00 O ATOM 0 H GLU A 16 19.136 -8.542 9.077 1.00 0.00 H new ATOM 0 HA GLU A 16 20.682 -6.520 10.407 1.00 0.00 H new ATOM 0 HB2 GLU A 16 22.157 -8.449 10.937 1.00 0.00 H new ATOM 0 HB3 GLU A 16 20.481 -8.742 11.358 1.00 0.00 H new ATOM 0 HG2 GLU A 16 20.157 -10.145 9.413 1.00 0.00 H new ATOM 0 HG3 GLU A 16 21.723 -9.703 8.762 1.00 0.00 H new ATOM 248 N GLU A 17 21.576 -7.569 7.456 1.00 0.00 N ATOM 249 CA GLU A 17 22.502 -7.345 6.352 1.00 0.00 C ATOM 250 C GLU A 17 22.722 -5.853 6.120 1.00 0.00 C ATOM 251 O GLU A 17 23.762 -5.442 5.606 1.00 0.00 O ATOM 252 CB GLU A 17 21.973 -7.999 5.073 1.00 0.00 C ATOM 253 CG GLU A 17 20.567 -7.559 4.701 1.00 0.00 C ATOM 254 CD GLU A 17 19.501 -8.495 5.238 1.00 0.00 C ATOM 255 OE1 GLU A 17 19.846 -9.386 6.041 1.00 0.00 O ATOM 256 OE2 GLU A 17 18.324 -8.335 4.855 1.00 0.00 O ATOM 0 H GLU A 17 20.766 -8.142 7.218 1.00 0.00 H new ATOM 0 HA GLU A 17 23.458 -7.799 6.615 1.00 0.00 H new ATOM 0 HB2 GLU A 17 22.648 -7.765 4.250 1.00 0.00 H new ATOM 0 HB3 GLU A 17 21.985 -9.082 5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 17 20.391 -6.555 5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 17 20.483 -7.503 3.616 1.00 0.00 H new ATOM 263 N GLN A 18 21.735 -5.049 6.501 1.00 0.00 N ATOM 264 CA GLN A 18 21.819 -3.603 6.334 1.00 0.00 C ATOM 265 C GLN A 18 22.459 -2.950 7.555 1.00 0.00 C ATOM 266 O GLN A 18 22.987 -1.842 7.473 1.00 0.00 O ATOM 267 CB GLN A 18 20.428 -3.014 6.095 1.00 0.00 C ATOM 268 CG GLN A 18 20.442 -1.735 5.274 1.00 0.00 C ATOM 269 CD GLN A 18 19.129 -1.486 4.559 1.00 0.00 C ATOM 270 OE1 GLN A 18 18.059 -1.823 5.066 1.00 0.00 O ATOM 271 NE2 GLN A 18 19.203 -0.893 3.373 1.00 0.00 N ATOM 0 H GLN A 18 20.868 -5.374 6.928 1.00 0.00 H new ATOM 0 HA GLN A 18 22.446 -3.399 5.466 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.811 -3.755 5.587 1.00 0.00 H new ATOM 0 HB3 GLN A 18 19.957 -2.813 7.057 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.661 -0.891 5.928 1.00 0.00 H new ATOM 0 HG3 GLN A 18 21.247 -1.787 4.540 1.00 0.00 H new ATOM 0 HE21 GLN A 18 20.111 -0.630 2.990 1.00 0.00 H new ATOM 0 HE22 GLN A 18 18.352 -0.700 2.845 1.00 0.00 H new ATOM 280 N ALA A 19 22.408 -3.646 8.686 1.00 0.00 N ATOM 281 CA ALA A 19 22.983 -3.134 9.924 1.00 0.00 C ATOM 282 C ALA A 19 24.498 -3.312 9.939 1.00 0.00 C ATOM 283 O ALA A 19 25.211 -2.590 10.637 1.00 0.00 O ATOM 284 CB ALA A 19 22.356 -3.828 11.124 1.00 0.00 C ATOM 0 H ALA A 19 21.975 -4.565 8.771 1.00 0.00 H new ATOM 0 HA ALA A 19 22.768 -2.067 9.982 1.00 0.00 H new ATOM 0 HB1 ALA A 19 22.795 -3.436 12.041 1.00 0.00 H new ATOM 0 HB2 ALA A 19 21.281 -3.646 11.129 1.00 0.00 H new ATOM 0 HB3 ALA A 19 22.542 -4.900 11.062 1.00 0.00 H new ATOM 290 N VAL A 20 24.984 -4.277 9.166 1.00 0.00 N ATOM 291 CA VAL A 20 26.414 -4.550 9.091 1.00 0.00 C ATOM 292 C VAL A 20 27.202 -3.275 8.813 1.00 0.00 C ATOM 293 O VAL A 20 28.327 -3.110 9.288 1.00 0.00 O ATOM 294 CB VAL A 20 26.732 -5.585 7.995 1.00 0.00 C ATOM 295 CG1 VAL A 20 26.417 -5.020 6.619 1.00 0.00 C ATOM 296 CG2 VAL A 20 28.186 -6.022 8.081 1.00 0.00 C ATOM 0 H VAL A 20 24.408 -4.883 8.582 1.00 0.00 H new ATOM 0 HA VAL A 20 26.710 -4.954 10.059 1.00 0.00 H new ATOM 0 HB VAL A 20 26.103 -6.461 8.154 1.00 0.00 H new ATOM 0 HG11 VAL A 20 26.648 -5.765 5.858 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.359 -4.762 6.565 1.00 0.00 H new ATOM 0 HG13 VAL A 20 27.018 -4.127 6.446 1.00 0.00 H new ATOM 0 HG21 VAL A 20 28.393 -6.753 7.300 1.00 0.00 H new ATOM 0 HG22 VAL A 20 28.835 -5.156 7.949 1.00 0.00 H new ATOM 0 HG23 VAL A 20 28.374 -6.471 9.056 1.00 0.00 H new ATOM 306 N LYS A 21 26.605 -2.373 8.042 1.00 0.00 N ATOM 307 CA LYS A 21 27.249 -1.110 7.701 1.00 0.00 C ATOM 308 C LYS A 21 27.190 -0.135 8.873 1.00 0.00 C ATOM 309 O LYS A 21 28.129 0.626 9.107 1.00 0.00 O ATOM 310 CB LYS A 21 26.581 -0.488 6.473 1.00 0.00 C ATOM 311 CG LYS A 21 27.198 -0.927 5.157 1.00 0.00 C ATOM 312 CD LYS A 21 28.507 -0.205 4.885 1.00 0.00 C ATOM 313 CE LYS A 21 28.960 -0.394 3.445 1.00 0.00 C ATOM 314 NZ LYS A 21 29.740 -1.650 3.270 1.00 0.00 N ATOM 0 H LYS A 21 25.675 -2.493 7.641 1.00 0.00 H new ATOM 0 HA LYS A 21 28.295 -1.315 7.473 1.00 0.00 H new ATOM 0 HB2 LYS A 21 25.523 -0.750 6.474 1.00 0.00 H new ATOM 0 HB3 LYS A 21 26.641 0.598 6.548 1.00 0.00 H new ATOM 0 HG2 LYS A 21 27.372 -2.003 5.177 1.00 0.00 H new ATOM 0 HG3 LYS A 21 26.499 -0.733 4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 21 28.387 0.858 5.093 1.00 0.00 H new ATOM 0 HD3 LYS A 21 29.276 -0.577 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 21 28.089 -0.413 2.790 1.00 0.00 H new ATOM 0 HE3 LYS A 21 29.569 0.457 3.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 30.030 -1.743 2.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 30.585 -1.621 3.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 29.151 -2.465 3.536 1.00 0.00 H new ATOM 328 N GLU A 22 26.083 -0.166 9.608 1.00 0.00 N ATOM 329 CA GLU A 22 25.903 0.714 10.756 1.00 0.00 C ATOM 330 C GLU A 22 26.830 0.313 11.900 1.00 0.00 C ATOM 331 O GLU A 22 27.501 1.157 12.494 1.00 0.00 O ATOM 332 CB GLU A 22 24.448 0.683 11.229 1.00 0.00 C ATOM 333 CG GLU A 22 23.482 1.356 10.269 1.00 0.00 C ATOM 334 CD GLU A 22 22.174 1.742 10.933 1.00 0.00 C ATOM 335 OE1 GLU A 22 21.634 0.918 11.701 1.00 0.00 O ATOM 336 OE2 GLU A 22 21.691 2.866 10.685 1.00 0.00 O ATOM 0 H GLU A 22 25.297 -0.791 9.429 1.00 0.00 H new ATOM 0 HA GLU A 22 26.154 1.728 10.446 1.00 0.00 H new ATOM 0 HB2 GLU A 22 24.143 -0.354 11.371 1.00 0.00 H new ATOM 0 HB3 GLU A 22 24.380 1.171 12.201 1.00 0.00 H new ATOM 0 HG2 GLU A 22 23.951 2.248 9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 22 23.278 0.685 9.435 1.00 0.00 H new ATOM 343 N ILE A 23 26.861 -0.981 12.202 1.00 0.00 N ATOM 344 CA ILE A 23 27.705 -1.495 13.273 1.00 0.00 C ATOM 345 C ILE A 23 29.183 -1.376 12.914 1.00 0.00 C ATOM 346 O ILE A 23 30.028 -1.170 13.783 1.00 0.00 O ATOM 347 CB ILE A 23 27.382 -2.967 13.588 1.00 0.00 C ATOM 348 CG1 ILE A 23 27.661 -3.846 12.367 1.00 0.00 C ATOM 349 CG2 ILE A 23 25.932 -3.108 14.029 1.00 0.00 C ATOM 350 CD1 ILE A 23 29.049 -4.446 12.359 1.00 0.00 C ATOM 0 H ILE A 23 26.311 -1.692 11.720 1.00 0.00 H new ATOM 0 HA ILE A 23 27.498 -0.890 14.155 1.00 0.00 H new ATOM 0 HB ILE A 23 28.024 -3.298 14.404 1.00 0.00 H new ATOM 0 HG12 ILE A 23 26.926 -4.650 12.333 1.00 0.00 H new ATOM 0 HG13 ILE A 23 27.526 -3.252 11.463 1.00 0.00 H new ATOM 0 HG21 ILE A 23 25.718 -4.154 14.248 1.00 0.00 H new ATOM 0 HG22 ILE A 23 25.764 -2.508 14.923 1.00 0.00 H new ATOM 0 HG23 ILE A 23 25.274 -2.763 13.232 1.00 0.00 H new ATOM 0 HD11 ILE A 23 29.176 -5.057 11.465 1.00 0.00 H new ATOM 0 HD12 ILE A 23 29.791 -3.647 12.362 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.182 -5.067 13.245 1.00 0.00 H new ATOM 362 N GLU A 24 29.485 -1.507 11.626 1.00 0.00 N ATOM 363 CA GLU A 24 30.861 -1.413 11.151 1.00 0.00 C ATOM 364 C GLU A 24 31.323 0.040 11.107 1.00 0.00 C ATOM 365 O GLU A 24 32.330 0.401 11.715 1.00 0.00 O ATOM 366 CB GLU A 24 30.989 -2.044 9.763 1.00 0.00 C ATOM 367 CG GLU A 24 32.382 -1.927 9.168 1.00 0.00 C ATOM 368 CD GLU A 24 33.413 -2.734 9.932 1.00 0.00 C ATOM 369 OE1 GLU A 24 33.274 -3.975 9.984 1.00 0.00 O ATOM 370 OE2 GLU A 24 34.358 -2.128 10.478 1.00 0.00 O ATOM 0 H GLU A 24 28.796 -1.678 10.893 1.00 0.00 H new ATOM 0 HA GLU A 24 31.498 -1.957 11.849 1.00 0.00 H new ATOM 0 HB2 GLU A 24 30.717 -3.098 9.826 1.00 0.00 H new ATOM 0 HB3 GLU A 24 30.275 -1.570 9.090 1.00 0.00 H new ATOM 0 HG2 GLU A 24 32.359 -2.262 8.131 1.00 0.00 H new ATOM 0 HG3 GLU A 24 32.682 -0.879 9.158 1.00 0.00 H new ATOM 377 N GLU A 25 30.579 0.870 10.381 1.00 0.00 N ATOM 378 CA GLU A 25 30.914 2.284 10.256 1.00 0.00 C ATOM 379 C GLU A 25 31.081 2.927 11.629 1.00 0.00 C ATOM 380 O GLU A 25 31.857 3.867 11.796 1.00 0.00 O ATOM 381 CB GLU A 25 29.830 3.019 9.464 1.00 0.00 C ATOM 382 CG GLU A 25 30.199 4.450 9.113 1.00 0.00 C ATOM 383 CD GLU A 25 29.193 5.100 8.182 1.00 0.00 C ATOM 384 OE1 GLU A 25 28.225 4.417 7.786 1.00 0.00 O ATOM 385 OE2 GLU A 25 29.374 6.289 7.848 1.00 0.00 O ATOM 0 H GLU A 25 29.742 0.588 9.871 1.00 0.00 H new ATOM 0 HA GLU A 25 31.860 2.361 9.721 1.00 0.00 H new ATOM 0 HB2 GLU A 25 29.627 2.469 8.545 1.00 0.00 H new ATOM 0 HB3 GLU A 25 28.907 3.022 10.044 1.00 0.00 H new ATOM 0 HG2 GLU A 25 30.274 5.037 10.028 1.00 0.00 H new ATOM 0 HG3 GLU A 25 31.183 4.463 8.645 1.00 0.00 H new ATOM 392 N ALA A 26 30.345 2.414 12.610 1.00 0.00 N ATOM 393 CA ALA A 26 30.412 2.937 13.969 1.00 0.00 C ATOM 394 C ALA A 26 31.780 2.678 14.590 1.00 0.00 C ATOM 395 O ALA A 26 32.290 3.495 15.357 1.00 0.00 O ATOM 396 CB ALA A 26 29.316 2.321 14.826 1.00 0.00 C ATOM 0 H ALA A 26 29.696 1.637 12.489 1.00 0.00 H new ATOM 0 HA ALA A 26 30.261 4.016 13.925 1.00 0.00 H new ATOM 0 HB1 ALA A 26 29.378 2.720 15.838 1.00 0.00 H new ATOM 0 HB2 ALA A 26 28.342 2.562 14.400 1.00 0.00 H new ATOM 0 HB3 ALA A 26 29.442 1.239 14.855 1.00 0.00 H new ATOM 402 N LYS A 27 32.370 1.535 14.255 1.00 0.00 N ATOM 403 CA LYS A 27 33.680 1.168 14.779 1.00 0.00 C ATOM 404 C LYS A 27 34.778 2.010 14.138 1.00 0.00 C ATOM 405 O LYS A 27 35.751 2.381 14.793 1.00 0.00 O ATOM 406 CB LYS A 27 33.952 -0.318 14.533 1.00 0.00 C ATOM 407 CG LYS A 27 33.203 -1.239 15.481 1.00 0.00 C ATOM 408 CD LYS A 27 32.953 -2.600 14.855 1.00 0.00 C ATOM 409 CE LYS A 27 34.224 -3.434 14.807 1.00 0.00 C ATOM 410 NZ LYS A 27 34.602 -3.945 16.154 1.00 0.00 N ATOM 0 H LYS A 27 31.961 0.847 13.623 1.00 0.00 H new ATOM 0 HA LYS A 27 33.681 1.359 15.852 1.00 0.00 H new ATOM 0 HB2 LYS A 27 33.677 -0.564 13.508 1.00 0.00 H new ATOM 0 HB3 LYS A 27 35.022 -0.504 14.629 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.776 -1.360 16.400 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.252 -0.784 15.756 1.00 0.00 H new ATOM 0 HD2 LYS A 27 32.190 -3.130 15.426 1.00 0.00 H new ATOM 0 HD3 LYS A 27 32.563 -2.471 13.845 1.00 0.00 H new ATOM 0 HE2 LYS A 27 34.082 -4.274 14.126 1.00 0.00 H new ATOM 0 HE3 LYS A 27 35.039 -2.832 14.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 35.356 -4.654 16.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 34.941 -3.157 16.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 33.773 -4.381 16.605 1.00 0.00 H new ATOM 424 N ASN A 28 34.614 2.308 12.853 1.00 0.00 N ATOM 425 CA ASN A 28 35.592 3.107 12.123 1.00 0.00 C ATOM 426 C ASN A 28 35.838 4.440 12.825 1.00 0.00 C ATOM 427 O ASN A 28 36.983 4.831 13.053 1.00 0.00 O ATOM 428 CB ASN A 28 35.114 3.353 10.691 1.00 0.00 C ATOM 429 CG ASN A 28 35.575 2.271 9.734 1.00 0.00 C ATOM 430 OD1 ASN A 28 36.095 2.560 8.656 1.00 0.00 O ATOM 431 ND2 ASN A 28 35.385 1.016 10.124 1.00 0.00 N ATOM 0 H ASN A 28 33.814 2.008 12.296 1.00 0.00 H new ATOM 0 HA ASN A 28 36.530 2.552 12.095 1.00 0.00 H new ATOM 0 HB2 ASN A 28 34.025 3.406 10.678 1.00 0.00 H new ATOM 0 HB3 ASN A 28 35.484 4.319 10.348 1.00 0.00 H new ATOM 0 HD21 ASN A 28 35.674 0.245 9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 28 34.950 0.823 11.026 1.00 0.00 H new ATOM 438 N ARG A 29 34.756 5.132 13.166 1.00 0.00 N ATOM 439 CA ARG A 29 34.854 6.420 13.841 1.00 0.00 C ATOM 440 C ARG A 29 35.710 6.311 15.100 1.00 0.00 C ATOM 441 O ARG A 29 36.438 7.239 15.450 1.00 0.00 O ATOM 442 CB ARG A 29 33.460 6.938 14.202 1.00 0.00 C ATOM 443 CG ARG A 29 32.498 6.967 13.026 1.00 0.00 C ATOM 444 CD ARG A 29 31.326 7.901 13.288 1.00 0.00 C ATOM 445 NE ARG A 29 31.707 9.305 13.162 1.00 0.00 N ATOM 446 CZ ARG A 29 30.989 10.308 13.655 1.00 0.00 C ATOM 447 NH1 ARG A 29 29.860 10.062 14.305 1.00 0.00 N ATOM 448 NH2 ARG A 29 31.401 11.560 13.500 1.00 0.00 N ATOM 0 H ARG A 29 33.801 4.822 12.986 1.00 0.00 H new ATOM 0 HA ARG A 29 35.330 7.124 13.159 1.00 0.00 H new ATOM 0 HB2 ARG A 29 33.041 6.310 14.988 1.00 0.00 H new ATOM 0 HB3 ARG A 29 33.550 7.944 14.612 1.00 0.00 H new ATOM 0 HG2 ARG A 29 33.028 7.289 12.129 1.00 0.00 H new ATOM 0 HG3 ARG A 29 32.127 5.960 12.833 1.00 0.00 H new ATOM 0 HD2 ARG A 29 30.522 7.679 12.587 1.00 0.00 H new ATOM 0 HD3 ARG A 29 30.935 7.720 14.289 1.00 0.00 H new ATOM 0 HE ARG A 29 32.571 9.528 12.669 1.00 0.00 H new ATOM 0 HH11 ARG A 29 29.541 9.101 14.427 1.00 0.00 H new ATOM 0 HH12 ARG A 29 29.310 10.834 14.683 1.00 0.00 H new ATOM 0 HH21 ARG A 29 32.270 11.753 13.002 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.849 12.329 13.879 1.00 0.00 H new ATOM 462 N ALA A 30 35.616 5.170 15.776 1.00 0.00 N ATOM 463 CA ALA A 30 36.382 4.939 16.994 1.00 0.00 C ATOM 464 C ALA A 30 37.848 4.666 16.677 1.00 0.00 C ATOM 465 O ALA A 30 38.732 4.965 17.479 1.00 0.00 O ATOM 466 CB ALA A 30 35.786 3.781 17.780 1.00 0.00 C ATOM 0 H ALA A 30 35.017 4.392 15.500 1.00 0.00 H new ATOM 0 HA ALA A 30 36.331 5.842 17.603 1.00 0.00 H new ATOM 0 HB1 ALA A 30 36.368 3.619 18.687 1.00 0.00 H new ATOM 0 HB2 ALA A 30 34.755 4.015 18.047 1.00 0.00 H new ATOM 0 HB3 ALA A 30 35.807 2.878 17.170 1.00 0.00 H new ATOM 472 N GLU A 31 38.099 4.096 15.502 1.00 0.00 N ATOM 473 CA GLU A 31 39.459 3.782 15.081 1.00 0.00 C ATOM 474 C GLU A 31 40.245 5.057 14.786 1.00 0.00 C ATOM 475 O GLU A 31 41.471 5.081 14.895 1.00 0.00 O ATOM 476 CB GLU A 31 39.439 2.884 13.842 1.00 0.00 C ATOM 477 CG GLU A 31 40.752 2.162 13.593 1.00 0.00 C ATOM 478 CD GLU A 31 40.949 1.797 12.134 1.00 0.00 C ATOM 479 OE1 GLU A 31 40.461 0.724 11.721 1.00 0.00 O ATOM 480 OE2 GLU A 31 41.591 2.583 11.406 1.00 0.00 O ATOM 0 H GLU A 31 37.379 3.843 14.826 1.00 0.00 H new ATOM 0 HA GLU A 31 39.951 3.252 15.897 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.644 2.147 13.951 1.00 0.00 H new ATOM 0 HB3 GLU A 31 39.196 3.489 12.969 1.00 0.00 H new ATOM 0 HG2 GLU A 31 41.578 2.794 13.920 1.00 0.00 H new ATOM 0 HG3 GLU A 31 40.785 1.256 14.198 1.00 0.00 H new ATOM 487 N GLN A 32 39.530 6.112 14.411 1.00 0.00 N ATOM 488 CA GLN A 32 40.160 7.390 14.099 1.00 0.00 C ATOM 489 C GLN A 32 40.910 7.937 15.309 1.00 0.00 C ATOM 490 O GLN A 32 41.877 8.685 15.166 1.00 0.00 O ATOM 491 CB GLN A 32 39.110 8.400 13.634 1.00 0.00 C ATOM 492 CG GLN A 32 39.702 9.720 13.166 1.00 0.00 C ATOM 493 CD GLN A 32 38.640 10.741 12.806 1.00 0.00 C ATOM 494 OE1 GLN A 32 38.438 11.056 11.633 1.00 0.00 O ATOM 495 NE2 GLN A 32 37.954 11.263 13.816 1.00 0.00 N ATOM 0 H GLN A 32 38.514 6.108 14.316 1.00 0.00 H new ATOM 0 HA GLN A 32 40.877 7.226 13.294 1.00 0.00 H new ATOM 0 HB2 GLN A 32 38.531 7.962 12.821 1.00 0.00 H new ATOM 0 HB3 GLN A 32 38.415 8.592 14.452 1.00 0.00 H new ATOM 0 HG2 GLN A 32 40.340 10.126 13.951 1.00 0.00 H new ATOM 0 HG3 GLN A 32 40.338 9.542 12.299 1.00 0.00 H new ATOM 0 HE21 GLN A 32 38.155 10.973 14.773 1.00 0.00 H new ATOM 0 HE22 GLN A 32 37.226 11.954 13.635 1.00 0.00 H new ATOM 504 N ILE A 33 40.456 7.560 16.500 1.00 0.00 N ATOM 505 CA ILE A 33 41.085 8.013 17.734 1.00 0.00 C ATOM 506 C ILE A 33 42.182 7.051 18.178 1.00 0.00 C ATOM 507 O ILE A 33 43.305 7.464 18.468 1.00 0.00 O ATOM 508 CB ILE A 33 40.055 8.157 18.870 1.00 0.00 C ATOM 509 CG1 ILE A 33 38.953 9.140 18.467 1.00 0.00 C ATOM 510 CG2 ILE A 33 40.738 8.615 20.150 1.00 0.00 C ATOM 511 CD1 ILE A 33 37.806 8.490 17.724 1.00 0.00 C ATOM 0 H ILE A 33 39.656 6.943 16.636 1.00 0.00 H new ATOM 0 HA ILE A 33 41.523 8.989 17.525 1.00 0.00 H new ATOM 0 HB ILE A 33 39.599 7.184 19.053 1.00 0.00 H new ATOM 0 HG12 ILE A 33 38.566 9.627 19.362 1.00 0.00 H new ATOM 0 HG13 ILE A 33 39.385 9.921 17.841 1.00 0.00 H new ATOM 0 HG21 ILE A 33 39.997 8.712 20.943 1.00 0.00 H new ATOM 0 HG22 ILE A 33 41.490 7.882 20.443 1.00 0.00 H new ATOM 0 HG23 ILE A 33 41.218 9.579 19.982 1.00 0.00 H new ATOM 0 HD11 ILE A 33 37.062 9.245 17.470 1.00 0.00 H new ATOM 0 HD12 ILE A 33 38.180 8.027 16.811 1.00 0.00 H new ATOM 0 HD13 ILE A 33 37.348 7.729 18.356 1.00 0.00 H new ATOM 523 N LYS A 34 41.850 5.766 18.226 1.00 0.00 N ATOM 524 CA LYS A 34 42.807 4.743 18.631 1.00 0.00 C ATOM 525 C LYS A 34 44.000 4.707 17.680 1.00 0.00 C ATOM 526 O LYS A 34 45.104 4.326 18.069 1.00 0.00 O ATOM 527 CB LYS A 34 42.132 3.370 18.671 1.00 0.00 C ATOM 528 CG LYS A 34 41.069 3.247 19.749 1.00 0.00 C ATOM 529 CD LYS A 34 40.097 2.118 19.447 1.00 0.00 C ATOM 530 CE LYS A 34 39.326 1.699 20.689 1.00 0.00 C ATOM 531 NZ LYS A 34 40.100 0.737 21.523 1.00 0.00 N ATOM 0 H LYS A 34 40.925 5.408 17.989 1.00 0.00 H new ATOM 0 HA LYS A 34 43.167 4.993 19.629 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.678 3.169 17.700 1.00 0.00 H new ATOM 0 HB3 LYS A 34 42.892 2.605 18.833 1.00 0.00 H new ATOM 0 HG2 LYS A 34 41.546 3.070 20.713 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.523 4.187 19.832 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.398 2.436 18.673 1.00 0.00 H new ATOM 0 HD3 LYS A 34 40.644 1.262 19.051 1.00 0.00 H new ATOM 0 HE2 LYS A 34 39.085 2.581 21.282 1.00 0.00 H new ATOM 0 HE3 LYS A 34 38.380 1.245 20.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 39.541 0.475 22.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 40.309 -0.116 20.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 40.991 1.179 21.826 1.00 0.00 H new ATOM 545 N ALA A 35 43.769 5.107 16.434 1.00 0.00 N ATOM 546 CA ALA A 35 44.825 5.123 15.430 1.00 0.00 C ATOM 547 C ALA A 35 46.029 5.927 15.911 1.00 0.00 C ATOM 548 O ALA A 35 47.165 5.646 15.533 1.00 0.00 O ATOM 549 CB ALA A 35 44.299 5.691 14.120 1.00 0.00 C ATOM 0 H ALA A 35 42.860 5.424 16.096 1.00 0.00 H new ATOM 0 HA ALA A 35 45.150 4.096 15.264 1.00 0.00 H new ATOM 0 HB1 ALA A 35 45.098 5.697 13.379 1.00 0.00 H new ATOM 0 HB2 ALA A 35 43.476 5.074 13.760 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.946 6.710 14.281 1.00 0.00 H new ATOM 555 N GLU A 36 45.770 6.927 16.748 1.00 0.00 N ATOM 556 CA GLU A 36 46.834 7.772 17.279 1.00 0.00 C ATOM 557 C GLU A 36 47.858 6.940 18.045 1.00 0.00 C ATOM 558 O GLU A 36 49.031 7.303 18.129 1.00 0.00 O ATOM 559 CB GLU A 36 46.249 8.850 18.194 1.00 0.00 C ATOM 560 CG GLU A 36 45.415 9.886 17.460 1.00 0.00 C ATOM 561 CD GLU A 36 44.637 10.784 18.402 1.00 0.00 C ATOM 562 OE1 GLU A 36 45.216 11.781 18.882 1.00 0.00 O ATOM 563 OE2 GLU A 36 43.452 10.490 18.660 1.00 0.00 O ATOM 0 H GLU A 36 44.834 7.172 17.073 1.00 0.00 H new ATOM 0 HA GLU A 36 47.337 8.251 16.439 1.00 0.00 H new ATOM 0 HB2 GLU A 36 45.632 8.373 18.955 1.00 0.00 H new ATOM 0 HB3 GLU A 36 47.064 9.354 18.714 1.00 0.00 H new ATOM 0 HG2 GLU A 36 46.068 10.498 16.838 1.00 0.00 H new ATOM 0 HG3 GLU A 36 44.720 9.379 16.791 1.00 0.00 H new ATOM 570 N ALA A 37 47.406 5.821 18.602 1.00 0.00 N ATOM 571 CA ALA A 37 48.282 4.936 19.359 1.00 0.00 C ATOM 572 C ALA A 37 48.899 3.872 18.458 1.00 0.00 C ATOM 573 O ALA A 37 49.471 2.893 18.940 1.00 0.00 O ATOM 574 CB ALA A 37 47.516 4.285 20.501 1.00 0.00 C ATOM 0 H ALA A 37 46.438 5.506 18.543 1.00 0.00 H new ATOM 0 HA ALA A 37 49.092 5.536 19.775 1.00 0.00 H new ATOM 0 HB1 ALA A 37 48.183 3.627 21.058 1.00 0.00 H new ATOM 0 HB2 ALA A 37 47.129 5.057 21.166 1.00 0.00 H new ATOM 0 HB3 ALA A 37 46.686 3.704 20.098 1.00 0.00 H new ATOM 580 N ILE A 38 48.778 4.068 17.150 1.00 0.00 N ATOM 581 CA ILE A 38 49.324 3.124 16.182 1.00 0.00 C ATOM 582 C ILE A 38 50.217 3.831 15.169 1.00 0.00 C ATOM 583 O ILE A 38 51.411 3.548 15.076 1.00 0.00 O ATOM 584 CB ILE A 38 48.205 2.377 15.432 1.00 0.00 C ATOM 585 CG1 ILE A 38 47.310 1.628 16.420 1.00 0.00 C ATOM 586 CG2 ILE A 38 48.801 1.416 14.414 1.00 0.00 C ATOM 587 CD1 ILE A 38 45.834 1.757 16.116 1.00 0.00 C ATOM 0 H ILE A 38 48.307 4.872 16.735 1.00 0.00 H new ATOM 0 HA ILE A 38 49.917 2.403 16.744 1.00 0.00 H new ATOM 0 HB ILE A 38 47.594 3.107 14.900 1.00 0.00 H new ATOM 0 HG12 ILE A 38 47.582 0.573 16.417 1.00 0.00 H new ATOM 0 HG13 ILE A 38 47.500 2.003 17.426 1.00 0.00 H new ATOM 0 HG21 ILE A 38 47.998 0.895 13.892 1.00 0.00 H new ATOM 0 HG22 ILE A 38 49.400 1.974 13.694 1.00 0.00 H new ATOM 0 HG23 ILE A 38 49.432 0.689 14.926 1.00 0.00 H new ATOM 0 HD11 ILE A 38 45.260 1.201 16.857 1.00 0.00 H new ATOM 0 HD12 ILE A 38 45.546 2.808 16.148 1.00 0.00 H new ATOM 0 HD13 ILE A 38 45.631 1.355 15.123 1.00 0.00 H new ATOM 599 N GLU A 39 49.630 4.753 14.412 1.00 0.00 N ATOM 600 CA GLU A 39 50.373 5.501 13.405 1.00 0.00 C ATOM 601 C GLU A 39 51.623 6.134 14.011 1.00 0.00 C ATOM 602 O GLU A 39 52.620 6.345 13.322 1.00 0.00 O ATOM 603 CB GLU A 39 49.488 6.585 12.786 1.00 0.00 C ATOM 604 CG GLU A 39 50.248 7.560 11.903 1.00 0.00 C ATOM 605 CD GLU A 39 49.507 7.885 10.620 1.00 0.00 C ATOM 606 OE1 GLU A 39 48.465 8.569 10.694 1.00 0.00 O ATOM 607 OE2 GLU A 39 49.970 7.455 9.543 1.00 0.00 O ATOM 0 H GLU A 39 48.642 5.000 14.477 1.00 0.00 H new ATOM 0 HA GLU A 39 50.680 4.804 12.625 1.00 0.00 H new ATOM 0 HB2 GLU A 39 48.704 6.109 12.197 1.00 0.00 H new ATOM 0 HB3 GLU A 39 48.995 7.139 13.584 1.00 0.00 H new ATOM 0 HG2 GLU A 39 50.429 8.481 12.457 1.00 0.00 H new ATOM 0 HG3 GLU A 39 51.223 7.139 11.658 1.00 0.00 H new ATOM 614 N GLU A 40 51.560 6.435 15.304 1.00 0.00 N ATOM 615 CA GLU A 40 52.685 7.045 16.002 1.00 0.00 C ATOM 616 C GLU A 40 53.762 6.007 16.309 1.00 0.00 C ATOM 617 O GLU A 40 54.956 6.296 16.237 1.00 0.00 O ATOM 618 CB GLU A 40 52.213 7.705 17.300 1.00 0.00 C ATOM 619 CG GLU A 40 53.300 8.490 18.014 1.00 0.00 C ATOM 620 CD GLU A 40 53.582 9.827 17.356 1.00 0.00 C ATOM 621 OE1 GLU A 40 52.754 10.749 17.510 1.00 0.00 O ATOM 622 OE2 GLU A 40 54.630 9.951 16.689 1.00 0.00 O ATOM 0 H GLU A 40 50.742 6.266 15.889 1.00 0.00 H new ATOM 0 HA GLU A 40 53.113 7.807 15.351 1.00 0.00 H new ATOM 0 HB2 GLU A 40 51.381 8.373 17.076 1.00 0.00 H new ATOM 0 HB3 GLU A 40 51.832 6.935 17.971 1.00 0.00 H new ATOM 0 HG2 GLU A 40 53.003 8.654 19.050 1.00 0.00 H new ATOM 0 HG3 GLU A 40 54.216 7.899 18.035 1.00 0.00 H new ATOM 629 N ALA A 41 53.330 4.799 16.653 1.00 0.00 N ATOM 630 CA ALA A 41 54.255 3.718 16.970 1.00 0.00 C ATOM 631 C ALA A 41 55.098 3.344 15.755 1.00 0.00 C ATOM 632 O ALA A 41 56.214 2.842 15.892 1.00 0.00 O ATOM 633 CB ALA A 41 53.493 2.503 17.480 1.00 0.00 C ATOM 0 H ALA A 41 52.345 4.544 16.719 1.00 0.00 H new ATOM 0 HA ALA A 41 54.928 4.066 17.754 1.00 0.00 H new ATOM 0 HB1 ALA A 41 54.197 1.704 17.713 1.00 0.00 H new ATOM 0 HB2 ALA A 41 52.939 2.772 18.379 1.00 0.00 H new ATOM 0 HB3 ALA A 41 52.797 2.162 16.714 1.00 0.00 H new ATOM 639 N LYS A 42 54.558 3.590 14.567 1.00 0.00 N ATOM 640 CA LYS A 42 55.260 3.280 13.327 1.00 0.00 C ATOM 641 C LYS A 42 56.543 4.097 13.210 1.00 0.00 C ATOM 642 O LYS A 42 57.494 3.686 12.545 1.00 0.00 O ATOM 643 CB LYS A 42 54.357 3.555 12.123 1.00 0.00 C ATOM 644 CG LYS A 42 55.077 3.464 10.789 1.00 0.00 C ATOM 645 CD LYS A 42 55.601 4.819 10.344 1.00 0.00 C ATOM 646 CE LYS A 42 54.644 5.495 9.374 1.00 0.00 C ATOM 647 NZ LYS A 42 55.348 6.455 8.479 1.00 0.00 N ATOM 0 H LYS A 42 53.635 4.004 14.436 1.00 0.00 H new ATOM 0 HA LYS A 42 55.523 2.222 13.342 1.00 0.00 H new ATOM 0 HB2 LYS A 42 53.531 2.844 12.129 1.00 0.00 H new ATOM 0 HB3 LYS A 42 53.923 4.550 12.225 1.00 0.00 H new ATOM 0 HG2 LYS A 42 55.906 2.761 10.869 1.00 0.00 H new ATOM 0 HG3 LYS A 42 54.397 3.070 10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 42 55.749 5.457 11.215 1.00 0.00 H new ATOM 0 HD3 LYS A 42 56.575 4.696 9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 42 54.142 4.738 8.772 1.00 0.00 H new ATOM 0 HE3 LYS A 42 53.871 6.021 9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 54.662 6.895 7.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 55.806 7.192 9.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 56.069 5.949 7.926 1.00 0.00 H new ATOM 661 N LYS A 43 56.563 5.255 13.861 1.00 0.00 N ATOM 662 CA LYS A 43 57.730 6.129 13.833 1.00 0.00 C ATOM 663 C LYS A 43 58.685 5.799 14.976 1.00 0.00 C ATOM 664 O LYS A 43 59.871 5.549 14.755 1.00 0.00 O ATOM 665 CB LYS A 43 57.298 7.595 13.922 1.00 0.00 C ATOM 666 CG LYS A 43 56.725 8.140 12.625 1.00 0.00 C ATOM 667 CD LYS A 43 56.471 9.635 12.713 1.00 0.00 C ATOM 668 CE LYS A 43 55.157 9.937 13.418 1.00 0.00 C ATOM 669 NZ LYS A 43 55.042 11.376 13.785 1.00 0.00 N ATOM 0 H LYS A 43 55.784 5.610 14.415 1.00 0.00 H new ATOM 0 HA LYS A 43 58.251 5.967 12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 43 56.552 7.698 14.710 1.00 0.00 H new ATOM 0 HB3 LYS A 43 58.156 8.201 14.213 1.00 0.00 H new ATOM 0 HG2 LYS A 43 57.415 7.935 11.807 1.00 0.00 H new ATOM 0 HG3 LYS A 43 55.793 7.625 12.393 1.00 0.00 H new ATOM 0 HD2 LYS A 43 57.291 10.113 13.249 1.00 0.00 H new ATOM 0 HD3 LYS A 43 56.453 10.062 11.710 1.00 0.00 H new ATOM 0 HE2 LYS A 43 54.325 9.660 12.770 1.00 0.00 H new ATOM 0 HE3 LYS A 43 55.078 9.326 14.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 54.133 11.541 14.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 55.821 11.635 14.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 55.091 11.959 12.925 1.00 0.00 H new ATOM 683 N LEU A 44 58.161 5.799 16.196 1.00 0.00 N ATOM 684 CA LEU A 44 58.967 5.498 17.375 1.00 0.00 C ATOM 685 C LEU A 44 58.228 4.548 18.311 1.00 0.00 C ATOM 686 O LEU A 44 57.017 4.665 18.502 1.00 0.00 O ATOM 687 CB LEU A 44 59.324 6.788 18.116 1.00 0.00 C ATOM 688 CG LEU A 44 60.058 6.616 19.446 1.00 0.00 C ATOM 689 CD1 LEU A 44 61.429 5.999 19.223 1.00 0.00 C ATOM 690 CD2 LEU A 44 60.182 7.953 20.163 1.00 0.00 C ATOM 0 H LEU A 44 57.182 6.004 16.396 1.00 0.00 H new ATOM 0 HA LEU A 44 59.884 5.011 17.043 1.00 0.00 H new ATOM 0 HB2 LEU A 44 59.941 7.401 17.460 1.00 0.00 H new ATOM 0 HB3 LEU A 44 58.405 7.344 18.300 1.00 0.00 H new ATOM 0 HG LEU A 44 59.477 5.941 20.075 1.00 0.00 H new ATOM 0 HD11 LEU A 44 61.937 5.884 20.181 1.00 0.00 H new ATOM 0 HD12 LEU A 44 61.316 5.022 18.753 1.00 0.00 H new ATOM 0 HD13 LEU A 44 62.019 6.648 18.575 1.00 0.00 H new ATOM 0 HD21 LEU A 44 60.707 7.812 21.108 1.00 0.00 H new ATOM 0 HD22 LEU A 44 60.740 8.650 19.538 1.00 0.00 H new ATOM 0 HD23 LEU A 44 59.188 8.355 20.357 1.00 0.00 H new ATOM 702 N ILE A 45 58.965 3.608 18.894 1.00 0.00 N ATOM 703 CA ILE A 45 58.380 2.640 19.813 1.00 0.00 C ATOM 704 C ILE A 45 58.570 3.073 21.263 1.00 0.00 C ATOM 705 O ILE A 45 59.636 2.876 21.845 1.00 0.00 O ATOM 706 CB ILE A 45 58.994 1.240 19.623 1.00 0.00 C ATOM 707 CG1 ILE A 45 58.863 0.796 18.164 1.00 0.00 C ATOM 708 CG2 ILE A 45 58.324 0.237 20.549 1.00 0.00 C ATOM 709 CD1 ILE A 45 57.431 0.685 17.692 1.00 0.00 C ATOM 0 H ILE A 45 59.968 3.497 18.746 1.00 0.00 H new ATOM 0 HA ILE A 45 57.315 2.595 19.586 1.00 0.00 H new ATOM 0 HB ILE A 45 60.053 1.287 19.876 1.00 0.00 H new ATOM 0 HG12 ILE A 45 59.393 1.505 17.528 1.00 0.00 H new ATOM 0 HG13 ILE A 45 59.353 -0.170 18.041 1.00 0.00 H new ATOM 0 HG21 ILE A 45 58.769 -0.747 20.403 1.00 0.00 H new ATOM 0 HG22 ILE A 45 58.464 0.548 21.584 1.00 0.00 H new ATOM 0 HG23 ILE A 45 57.258 0.190 20.325 1.00 0.00 H new ATOM 0 HD11 ILE A 45 57.415 0.366 16.650 1.00 0.00 H new ATOM 0 HD12 ILE A 45 56.902 -0.046 18.303 1.00 0.00 H new ATOM 0 HD13 ILE A 45 56.942 1.655 17.782 1.00 0.00 H new ATOM 721 N ALA A 46 57.529 3.662 21.840 1.00 0.00 N ATOM 722 CA ALA A 46 57.580 4.120 23.223 1.00 0.00 C ATOM 723 C ALA A 46 56.435 3.530 24.039 1.00 0.00 C ATOM 724 O ALA A 46 55.790 4.231 24.820 1.00 0.00 O ATOM 725 CB ALA A 46 57.540 5.640 23.278 1.00 0.00 C ATOM 0 H ALA A 46 56.639 3.834 21.371 1.00 0.00 H new ATOM 0 HA ALA A 46 58.518 3.776 23.659 1.00 0.00 H new ATOM 0 HB1 ALA A 46 57.579 5.968 24.317 1.00 0.00 H new ATOM 0 HB2 ALA A 46 58.395 6.046 22.737 1.00 0.00 H new ATOM 0 HB3 ALA A 46 56.618 5.997 22.819 1.00 0.00 H new ATOM 731 N CYS A 47 56.187 2.238 23.854 1.00 0.00 N ATOM 732 CA CYS A 47 55.118 1.554 24.572 1.00 0.00 C ATOM 733 C CYS A 47 55.492 1.348 26.036 1.00 0.00 C ATOM 734 O CYS A 47 55.054 0.388 26.670 1.00 0.00 O ATOM 735 CB CYS A 47 54.815 0.206 23.916 1.00 0.00 C ATOM 736 SG CYS A 47 54.309 0.326 22.184 1.00 0.00 S ATOM 0 H CYS A 47 56.712 1.643 23.213 1.00 0.00 H new ATOM 0 HA CYS A 47 54.226 2.179 24.528 1.00 0.00 H new ATOM 0 HB2 CYS A 47 55.701 -0.425 23.982 1.00 0.00 H new ATOM 0 HB3 CYS A 47 54.026 -0.292 24.480 1.00 0.00 H new ATOM 0 HG CYS A 47 54.077 -0.865 21.716 1.00 0.00 H new TER 742 CYS A 47