USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 265 hydrogens (11 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 NoAdj-H: A 37 TYC H0 : A 37 TYC N : A 36 THR C :(H bumps) USER MOD NoAdj-H: A 37 TYC H : A 37 TYC N : A 36 THR C :(H bumps) USER MOD Single : A 1 LYS N :NH3+ 130:sc= 0.0903 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0796) USER MOD Single : A 3 ASN : amide:sc= -0.787 K(o=-0.79,f=-0.22) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0512 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -120:sc= 1.43 USER MOD Single : A 10 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.57) USER MOD Single : A 14 ASN : amide:sc= -1.62! K(o=-1.6!,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -3.34! K(o=-3.3!,f=-0.5) USER MOD Single : A 19 SER OG : rot 143:sc= 1.23 USER MOD Single : A 20 SER OG : rot 70:sc= 1.15 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -1.35! K(o=-1.3!,f=-0.08) USER MOD Single : A 28 SER OG : rot -143:sc= 1.7 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot -2:sc= 0.944 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.061 K(o=-0.061,f=-2.9!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYC OH : rot 30:sc= 1.01 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 12.312 5.794 9.516 1.00 0.00 N ATOM 2 CA LYS A 1 11.330 6.230 8.535 1.00 0.00 C ATOM 3 C LYS A 1 12.100 6.794 7.369 1.00 0.00 C ATOM 4 O LYS A 1 13.100 7.473 7.578 1.00 0.00 O ATOM 5 CB LYS A 1 10.417 7.315 9.153 1.00 0.00 C ATOM 6 CG LYS A 1 9.220 7.710 8.285 1.00 0.00 C ATOM 7 CD LYS A 1 8.311 8.727 8.989 1.00 0.00 C ATOM 8 CE LYS A 1 8.924 10.127 9.085 1.00 0.00 C ATOM 9 NZ LYS A 1 9.074 10.773 7.756 1.00 0.00 N ATOM 0 H1 LYS A 1 12.065 6.181 10.449 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.319 4.755 9.562 1.00 0.00 H new ATOM 0 H3 LYS A 1 13.255 6.134 9.238 1.00 0.00 H new ATOM 0 HA LYS A 1 10.695 5.403 8.215 1.00 0.00 H new ATOM 0 HB2 LYS A 1 10.049 6.957 10.115 1.00 0.00 H new ATOM 0 HB3 LYS A 1 11.015 8.205 9.351 1.00 0.00 H new ATOM 0 HG2 LYS A 1 9.577 8.132 7.345 1.00 0.00 H new ATOM 0 HG3 LYS A 1 8.643 6.819 8.036 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.364 8.789 8.453 1.00 0.00 H new ATOM 0 HD3 LYS A 1 8.086 8.368 9.993 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.297 10.752 9.721 1.00 0.00 H new ATOM 0 HE3 LYS A 1 9.900 10.061 9.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 9.348 11.768 7.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 9.809 10.279 7.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 8.171 10.725 7.243 1.00 0.00 H new ATOM 25 N CYS A 2 11.687 6.507 6.164 1.00 0.00 N ATOM 26 CA CYS A 2 12.391 7.013 5.015 1.00 0.00 C ATOM 27 C CYS A 2 11.445 7.444 3.911 1.00 0.00 C ATOM 28 O CYS A 2 10.337 6.920 3.785 1.00 0.00 O ATOM 29 CB CYS A 2 13.429 6.011 4.532 1.00 0.00 C ATOM 30 SG CYS A 2 12.808 4.331 4.244 1.00 0.00 S ATOM 0 H CYS A 2 10.873 5.930 5.952 1.00 0.00 H new ATOM 0 HA CYS A 2 12.925 7.913 5.321 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.866 6.383 3.605 1.00 0.00 H new ATOM 0 HB3 CYS A 2 14.233 5.963 5.266 1.00 0.00 H new ATOM 35 N ASN A 3 11.883 8.391 3.103 1.00 0.00 N ATOM 36 CA ASN A 3 11.017 8.996 2.088 1.00 0.00 C ATOM 37 C ASN A 3 11.821 9.278 0.806 1.00 0.00 C ATOM 38 O ASN A 3 11.406 10.038 -0.073 1.00 0.00 O ATOM 39 CB ASN A 3 10.409 10.300 2.661 1.00 0.00 C ATOM 40 CG ASN A 3 9.325 10.941 1.788 1.00 0.00 C ATOM 41 OD1 ASN A 3 9.203 12.165 1.747 1.00 0.00 O ATOM 42 ND2 ASN A 3 8.506 10.144 1.148 1.00 0.00 N ATOM 0 H ASN A 3 12.832 8.763 3.124 1.00 0.00 H new ATOM 0 HA ASN A 3 10.210 8.310 1.830 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.986 10.086 3.643 1.00 0.00 H new ATOM 0 HB3 ASN A 3 11.211 11.023 2.810 1.00 0.00 H new ATOM 0 HD21 ASN A 3 7.742 10.534 0.597 1.00 0.00 H new ATOM 0 HD22 ASN A 3 8.633 9.133 1.201 1.00 0.00 H new ATOM 49 N THR A 4 12.926 8.598 0.669 1.00 0.00 N ATOM 50 CA THR A 4 13.791 8.782 -0.475 1.00 0.00 C ATOM 51 C THR A 4 13.524 7.677 -1.487 1.00 0.00 C ATOM 52 O THR A 4 13.008 6.615 -1.129 1.00 0.00 O ATOM 53 CB THR A 4 15.300 8.762 -0.049 1.00 0.00 C ATOM 54 OG1 THR A 4 16.157 8.876 -1.185 1.00 0.00 O ATOM 55 CG2 THR A 4 15.642 7.489 0.694 1.00 0.00 C ATOM 0 H THR A 4 13.255 7.904 1.340 1.00 0.00 H new ATOM 0 HA THR A 4 13.579 9.754 -0.921 1.00 0.00 H new ATOM 0 HB THR A 4 15.455 9.617 0.609 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.092 8.863 -0.892 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.695 7.504 0.976 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.027 7.415 1.591 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.451 6.630 0.051 1.00 0.00 H new ATOM 63 N ALA A 5 13.931 7.911 -2.714 1.00 0.00 N ATOM 64 CA ALA A 5 13.715 7.015 -3.850 1.00 0.00 C ATOM 65 C ALA A 5 14.423 5.687 -3.658 1.00 0.00 C ATOM 66 O ALA A 5 14.123 4.714 -4.314 1.00 0.00 O ATOM 67 CB ALA A 5 14.167 7.677 -5.138 1.00 0.00 C ATOM 0 H ALA A 5 14.440 8.758 -2.967 1.00 0.00 H new ATOM 0 HA ALA A 5 12.646 6.812 -3.913 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.000 6.998 -5.974 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.598 8.593 -5.295 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.228 7.916 -5.071 1.00 0.00 H new ATOM 73 N THR A 6 15.377 5.670 -2.777 1.00 0.00 N ATOM 74 CA THR A 6 16.102 4.467 -2.483 1.00 0.00 C ATOM 75 C THR A 6 15.409 3.646 -1.359 1.00 0.00 C ATOM 76 O THR A 6 15.653 2.452 -1.199 1.00 0.00 O ATOM 77 CB THR A 6 17.531 4.855 -2.056 1.00 0.00 C ATOM 78 OG1 THR A 6 18.148 5.604 -3.114 1.00 0.00 O ATOM 79 CG2 THR A 6 18.374 3.644 -1.731 1.00 0.00 C ATOM 0 H THR A 6 15.676 6.486 -2.242 1.00 0.00 H new ATOM 0 HA THR A 6 16.128 3.838 -3.373 1.00 0.00 H new ATOM 0 HB THR A 6 17.462 5.458 -1.150 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.057 5.856 -2.849 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.373 3.965 -1.435 1.00 0.00 H new ATOM 0 HG22 THR A 6 17.914 3.089 -0.913 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.444 3.003 -2.610 1.00 0.00 H new ATOM 87 N CYS A 7 14.490 4.259 -0.645 1.00 0.00 N ATOM 88 CA CYS A 7 13.993 3.619 0.556 1.00 0.00 C ATOM 89 C CYS A 7 12.498 3.538 0.597 1.00 0.00 C ATOM 90 O CYS A 7 11.939 2.531 1.011 1.00 0.00 O ATOM 91 CB CYS A 7 14.449 4.386 1.727 1.00 0.00 C ATOM 92 SG CYS A 7 14.365 3.467 3.296 1.00 0.00 S ATOM 0 H CYS A 7 14.082 5.168 -0.863 1.00 0.00 H new ATOM 0 HA CYS A 7 14.380 2.600 0.563 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.478 4.706 1.560 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.845 5.289 1.814 1.00 0.00 H new ATOM 97 N ALA A 8 11.831 4.591 0.151 1.00 0.00 N ATOM 98 CA ALA A 8 10.385 4.607 0.136 1.00 0.00 C ATOM 99 C ALA A 8 9.910 3.554 -0.830 1.00 0.00 C ATOM 100 O ALA A 8 8.860 2.972 -0.669 1.00 0.00 O ATOM 101 CB ALA A 8 9.872 5.975 -0.256 1.00 0.00 C ATOM 0 H ALA A 8 12.270 5.441 -0.203 1.00 0.00 H new ATOM 0 HA ALA A 8 9.999 4.390 1.132 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.782 5.967 -0.262 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.226 6.716 0.461 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.238 6.230 -1.251 1.00 0.00 H new ATOM 107 N THR A 9 10.761 3.279 -1.791 1.00 0.00 N ATOM 108 CA THR A 9 10.536 2.265 -2.790 1.00 0.00 C ATOM 109 C THR A 9 10.568 0.867 -2.172 1.00 0.00 C ATOM 110 O THR A 9 9.905 -0.041 -2.619 1.00 0.00 O ATOM 111 CB THR A 9 11.579 2.392 -3.861 1.00 0.00 C ATOM 112 OG1 THR A 9 12.841 2.631 -3.212 1.00 0.00 O ATOM 113 CG2 THR A 9 11.244 3.546 -4.784 1.00 0.00 C ATOM 0 H THR A 9 11.650 3.767 -1.901 1.00 0.00 H new ATOM 0 HA THR A 9 9.547 2.408 -3.225 1.00 0.00 H new ATOM 0 HB THR A 9 11.621 1.483 -4.460 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.205 3.491 -3.511 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.008 3.628 -5.557 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.274 3.370 -5.250 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.208 4.472 -4.210 1.00 0.00 H new ATOM 121 N GLN A 10 11.357 0.734 -1.139 1.00 0.00 N ATOM 122 CA GLN A 10 11.496 -0.506 -0.386 1.00 0.00 C ATOM 123 C GLN A 10 10.266 -0.694 0.440 1.00 0.00 C ATOM 124 O GLN A 10 9.738 -1.790 0.562 1.00 0.00 O ATOM 125 CB GLN A 10 12.718 -0.456 0.529 1.00 0.00 C ATOM 126 CG GLN A 10 13.993 -0.183 -0.208 1.00 0.00 C ATOM 127 CD GLN A 10 14.286 -1.214 -1.260 1.00 0.00 C ATOM 128 OE1 GLN A 10 13.953 -2.402 -1.122 1.00 0.00 O ATOM 129 NE2 GLN A 10 14.830 -0.761 -2.335 1.00 0.00 N ATOM 0 H GLN A 10 11.937 1.494 -0.782 1.00 0.00 H new ATOM 0 HA GLN A 10 11.626 -1.335 -1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.569 0.317 1.283 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.807 -1.405 1.058 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.935 0.800 -0.675 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.819 -0.150 0.503 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.086 0.224 -2.401 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.005 -1.387 -3.121 1.00 0.00 H new ATOM 138 N ARG A 11 9.787 0.409 0.968 1.00 0.00 N ATOM 139 CA ARG A 11 8.553 0.410 1.755 1.00 0.00 C ATOM 140 C ARG A 11 7.418 0.022 0.815 1.00 0.00 C ATOM 141 O ARG A 11 6.538 -0.770 1.162 1.00 0.00 O ATOM 142 CB ARG A 11 8.275 1.795 2.371 1.00 0.00 C ATOM 143 CG ARG A 11 9.482 2.475 3.029 1.00 0.00 C ATOM 144 CD ARG A 11 10.151 1.621 4.091 1.00 0.00 C ATOM 145 NE ARG A 11 9.278 1.340 5.225 1.00 0.00 N ATOM 146 CZ ARG A 11 9.621 0.623 6.296 1.00 0.00 C ATOM 147 NH1 ARG A 11 10.828 0.071 6.380 1.00 0.00 N ATOM 148 NH2 ARG A 11 8.755 0.458 7.277 1.00 0.00 N ATOM 0 H ARG A 11 10.227 1.324 0.872 1.00 0.00 H new ATOM 0 HA ARG A 11 8.643 -0.295 2.582 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.891 2.451 1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.487 1.691 3.116 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.213 2.724 2.260 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.160 3.414 3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.472 0.680 3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.048 2.128 4.446 1.00 0.00 H new ATOM 0 HE ARG A 11 8.332 1.721 5.197 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.499 0.195 5.622 1.00 0.00 H new ATOM 0 HH12 ARG A 11 11.083 -0.476 7.203 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.828 0.878 7.215 1.00 0.00 H new ATOM 0 HH22 ARG A 11 9.013 -0.090 8.098 1.00 0.00 H new ATOM 162 N LEU A 12 7.497 0.549 -0.399 1.00 0.00 N ATOM 163 CA LEU A 12 6.606 0.217 -1.472 1.00 0.00 C ATOM 164 C LEU A 12 6.740 -1.246 -1.836 1.00 0.00 C ATOM 165 O LEU A 12 5.770 -1.903 -2.075 1.00 0.00 O ATOM 166 CB LEU A 12 6.929 1.071 -2.682 1.00 0.00 C ATOM 167 CG LEU A 12 6.515 2.550 -2.632 1.00 0.00 C ATOM 168 CD1 LEU A 12 6.863 3.243 -3.936 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.026 2.696 -2.339 1.00 0.00 C ATOM 0 H LEU A 12 8.205 1.236 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 12 5.582 0.407 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.005 1.028 -2.848 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.454 0.617 -3.552 1.00 0.00 H new ATOM 0 HG LEU A 12 7.068 3.025 -1.822 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.563 4.290 -3.883 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.938 3.182 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.338 2.756 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.763 3.753 -2.310 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.451 2.200 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.798 2.239 -1.376 1.00 0.00 H new ATOM 181 N ALA A 13 7.949 -1.755 -1.838 1.00 0.00 N ATOM 182 CA ALA A 13 8.186 -3.148 -2.152 1.00 0.00 C ATOM 183 C ALA A 13 7.552 -4.046 -1.097 1.00 0.00 C ATOM 184 O ALA A 13 7.123 -5.153 -1.385 1.00 0.00 O ATOM 185 CB ALA A 13 9.670 -3.437 -2.288 1.00 0.00 C ATOM 0 H ALA A 13 8.792 -1.222 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 13 7.719 -3.362 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.815 -4.491 -2.524 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.088 -2.825 -3.087 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.174 -3.202 -1.350 1.00 0.00 H new ATOM 191 N ASN A 14 7.438 -3.531 0.117 1.00 0.00 N ATOM 192 CA ASN A 14 6.799 -4.277 1.209 1.00 0.00 C ATOM 193 C ASN A 14 5.301 -4.257 1.061 1.00 0.00 C ATOM 194 O ASN A 14 4.582 -5.054 1.658 1.00 0.00 O ATOM 195 CB ASN A 14 7.207 -3.797 2.604 1.00 0.00 C ATOM 196 CG ASN A 14 8.615 -4.196 3.007 1.00 0.00 C ATOM 197 OD1 ASN A 14 8.883 -4.454 4.173 1.00 0.00 O ATOM 198 ND2 ASN A 14 9.519 -4.198 2.080 1.00 0.00 N ATOM 0 H ASN A 14 7.775 -2.605 0.378 1.00 0.00 H new ATOM 0 HA ASN A 14 7.159 -5.302 1.124 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.123 -2.711 2.642 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.504 -4.197 3.335 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.487 -4.419 2.312 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.263 -3.979 1.117 1.00 0.00 H new ATOM 205 N PHE A 15 4.845 -3.351 0.259 1.00 0.00 N ATOM 206 CA PHE A 15 3.458 -3.260 -0.107 1.00 0.00 C ATOM 207 C PHE A 15 3.133 -4.374 -1.147 1.00 0.00 C ATOM 208 O PHE A 15 1.985 -4.753 -1.334 1.00 0.00 O ATOM 209 CB PHE A 15 3.156 -1.806 -0.601 1.00 0.00 C ATOM 210 CG PHE A 15 2.323 -1.694 -1.850 1.00 0.00 C ATOM 211 CD1 PHE A 15 0.991 -1.337 -1.817 1.00 0.00 C ATOM 212 CD2 PHE A 15 2.897 -1.971 -3.057 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.263 -1.270 -2.993 1.00 0.00 C ATOM 214 CE2 PHE A 15 2.208 -1.919 -4.210 1.00 0.00 C ATOM 215 CZ PHE A 15 0.875 -1.570 -4.199 1.00 0.00 C ATOM 0 H PHE A 15 5.432 -2.637 -0.172 1.00 0.00 H new ATOM 0 HA PHE A 15 2.800 -3.436 0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.648 -1.269 0.200 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.105 -1.298 -0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.516 -1.110 -0.874 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.942 -2.242 -3.087 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.778 -0.985 -2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.699 -2.150 -5.144 1.00 0.00 H new ATOM 0 HZ PHE A 15 0.313 -1.531 -5.121 1.00 0.00 H new ATOM 225 N LEU A 16 4.169 -4.890 -1.817 1.00 0.00 N ATOM 226 CA LEU A 16 3.983 -6.019 -2.731 1.00 0.00 C ATOM 227 C LEU A 16 4.291 -7.321 -2.002 1.00 0.00 C ATOM 228 O LEU A 16 3.437 -8.209 -1.913 1.00 0.00 O ATOM 229 CB LEU A 16 4.903 -5.981 -4.001 1.00 0.00 C ATOM 230 CG LEU A 16 4.804 -4.876 -5.031 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.402 -4.622 -5.475 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.542 -3.639 -4.599 1.00 0.00 C ATOM 0 H LEU A 16 5.128 -4.551 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 16 2.947 -5.952 -3.063 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.933 -5.986 -3.643 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.745 -6.920 -4.531 1.00 0.00 H new ATOM 0 HG LEU A 16 5.316 -5.227 -5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.394 -3.820 -6.213 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.991 -5.528 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.796 -4.332 -4.617 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.446 -2.871 -5.367 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.120 -3.272 -3.663 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.596 -3.876 -4.454 1.00 0.00 H new ATOM 244 N VAL A 17 5.482 -7.341 -1.400 1.00 0.00 N ATOM 245 CA VAL A 17 6.186 -8.500 -0.822 1.00 0.00 C ATOM 246 C VAL A 17 5.285 -9.676 -0.360 1.00 0.00 C ATOM 247 O VAL A 17 5.391 -10.777 -0.872 1.00 0.00 O ATOM 248 CB VAL A 17 7.189 -8.034 0.302 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.530 -7.643 1.628 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.333 -9.002 0.491 1.00 0.00 C ATOM 0 H VAL A 17 6.025 -6.484 -1.293 1.00 0.00 H new ATOM 0 HA VAL A 17 6.750 -8.933 -1.648 1.00 0.00 H new ATOM 0 HB VAL A 17 7.611 -7.104 -0.078 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.297 -7.337 2.339 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.839 -6.817 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 17 5.984 -8.497 2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.994 -8.635 1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.940 -9.978 0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.891 -9.092 -0.441 1.00 0.00 H new ATOM 260 N HIS A 18 4.415 -9.418 0.572 1.00 0.00 N ATOM 261 CA HIS A 18 3.503 -10.425 1.161 1.00 0.00 C ATOM 262 C HIS A 18 2.192 -9.755 1.320 1.00 0.00 C ATOM 263 O HIS A 18 1.297 -10.206 2.042 1.00 0.00 O ATOM 264 CB HIS A 18 3.952 -10.873 2.568 1.00 0.00 C ATOM 265 CG HIS A 18 5.216 -11.638 2.648 1.00 0.00 C ATOM 266 ND1 HIS A 18 5.368 -12.795 3.370 1.00 0.00 N ATOM 267 CD2 HIS A 18 6.391 -11.362 2.146 1.00 0.00 C ATOM 268 CE1 HIS A 18 6.614 -13.183 3.291 1.00 0.00 C ATOM 269 NE2 HIS A 18 7.264 -12.321 2.547 1.00 0.00 N ATOM 0 H HIS A 18 4.297 -8.487 0.971 1.00 0.00 H new ATOM 0 HA HIS A 18 3.481 -11.302 0.514 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.051 -9.985 3.193 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.158 -11.481 3.002 1.00 0.00 H new ATOM 0 HD2 HIS A 18 6.627 -10.515 1.519 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.035 -14.061 3.758 1.00 0.00 H new ATOM 0 HE2 HIS A 18 8.255 -12.364 2.310 1.00 0.00 H new ATOM 278 N SER A 19 2.071 -8.675 0.649 1.00 0.00 N ATOM 279 CA SER A 19 0.943 -7.868 0.797 1.00 0.00 C ATOM 280 C SER A 19 0.012 -8.044 -0.340 1.00 0.00 C ATOM 281 O SER A 19 -1.142 -7.939 -0.152 1.00 0.00 O ATOM 282 CB SER A 19 1.365 -6.434 1.011 1.00 0.00 C ATOM 283 OG SER A 19 2.269 -6.351 2.116 1.00 0.00 O ATOM 0 H SER A 19 2.760 -8.331 -0.020 1.00 0.00 H new ATOM 0 HA SER A 19 0.387 -8.173 1.684 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.842 -6.048 0.110 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.489 -5.813 1.199 1.00 0.00 H new ATOM 0 HG SER A 19 2.953 -5.674 1.929 1.00 0.00 H new ATOM 289 N SER A 20 0.516 -8.516 -1.455 1.00 0.00 N ATOM 290 CA SER A 20 -0.256 -8.638 -2.722 1.00 0.00 C ATOM 291 C SER A 20 -1.414 -9.659 -2.634 1.00 0.00 C ATOM 292 O SER A 20 -2.176 -9.841 -3.588 1.00 0.00 O ATOM 293 CB SER A 20 0.667 -8.995 -3.884 1.00 0.00 C ATOM 294 OG SER A 20 1.716 -8.048 -4.016 1.00 0.00 O ATOM 0 H SER A 20 1.481 -8.836 -1.535 1.00 0.00 H new ATOM 0 HA SER A 20 -0.706 -7.661 -2.898 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.088 -9.988 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.092 -9.036 -4.809 1.00 0.00 H new ATOM 0 HG SER A 20 2.339 -8.143 -3.266 1.00 0.00 H new ATOM 300 N ASN A 21 -1.529 -10.304 -1.514 1.00 0.00 N ATOM 301 CA ASN A 21 -2.591 -11.246 -1.256 1.00 0.00 C ATOM 302 C ASN A 21 -3.413 -10.816 -0.061 1.00 0.00 C ATOM 303 O ASN A 21 -4.328 -11.513 0.348 1.00 0.00 O ATOM 304 CB ASN A 21 -2.005 -12.611 -0.941 1.00 0.00 C ATOM 305 CG ASN A 21 -1.513 -13.382 -2.145 1.00 0.00 C ATOM 306 OD1 ASN A 21 -2.278 -14.118 -2.782 1.00 0.00 O ATOM 307 ND2 ASN A 21 -0.254 -13.255 -2.449 1.00 0.00 N ATOM 0 H ASN A 21 -0.879 -10.193 -0.735 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.220 -11.288 -2.145 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.176 -12.483 -0.245 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.761 -13.207 -0.430 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.135 -13.772 -3.237 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.344 -12.638 -1.899 1.00 0.00 H new ATOM 314 N ASN A 22 -3.102 -9.674 0.505 1.00 0.00 N ATOM 315 CA ASN A 22 -3.665 -9.282 1.770 1.00 0.00 C ATOM 316 C ASN A 22 -4.060 -7.866 1.846 1.00 0.00 C ATOM 317 O ASN A 22 -5.063 -7.540 2.468 1.00 0.00 O ATOM 318 CB ASN A 22 -2.653 -9.510 2.840 1.00 0.00 C ATOM 319 CG ASN A 22 -2.860 -10.791 3.591 1.00 0.00 C ATOM 320 OD1 ASN A 22 -2.508 -10.913 4.766 1.00 0.00 O ATOM 321 ND2 ASN A 22 -3.448 -11.746 2.940 1.00 0.00 N ATOM 0 H ASN A 22 -2.455 -8.996 0.103 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.565 -9.884 1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -1.658 -9.515 2.394 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.683 -8.677 3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -3.634 -12.637 3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.724 -11.606 1.968 1.00 0.00 H new ATOM 328 N PHE A 23 -3.251 -7.051 1.268 1.00 0.00 N ATOM 329 CA PHE A 23 -3.340 -5.621 1.295 1.00 0.00 C ATOM 330 C PHE A 23 -4.727 -5.084 0.943 1.00 0.00 C ATOM 331 O PHE A 23 -5.120 -4.929 -0.220 1.00 0.00 O ATOM 332 CB PHE A 23 -2.195 -5.016 0.481 1.00 0.00 C ATOM 333 CG PHE A 23 -2.185 -5.237 -1.005 1.00 0.00 C ATOM 334 CD1 PHE A 23 -1.450 -4.410 -1.811 1.00 0.00 C ATOM 335 CD2 PHE A 23 -2.865 -6.281 -1.572 1.00 0.00 C ATOM 336 CE1 PHE A 23 -1.392 -4.615 -3.161 1.00 0.00 C ATOM 337 CE2 PHE A 23 -2.823 -6.500 -2.915 1.00 0.00 C ATOM 338 CZ PHE A 23 -2.082 -5.666 -3.725 1.00 0.00 C ATOM 0 H PHE A 23 -2.453 -7.381 0.725 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.212 -5.290 2.326 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.193 -3.940 0.657 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.259 -5.406 0.882 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.908 -3.584 -1.374 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.444 -6.942 -0.944 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.807 -3.955 -3.784 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.370 -7.326 -3.345 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.043 -5.835 -4.791 1.00 0.00 H new ATOM 348 N GLY A 24 -5.465 -4.856 1.982 1.00 0.00 N ATOM 349 CA GLY A 24 -6.836 -4.431 1.878 1.00 0.00 C ATOM 350 C GLY A 24 -7.712 -5.479 1.285 1.00 0.00 C ATOM 351 O GLY A 24 -8.578 -5.199 0.469 1.00 0.00 O ATOM 0 H GLY A 24 -5.134 -4.959 2.941 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.208 -4.168 2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -6.889 -3.529 1.268 1.00 0.00 H new ATOM 355 N ALA A 25 -7.446 -6.676 1.663 1.00 0.00 N ATOM 356 CA ALA A 25 -8.264 -7.797 1.370 1.00 0.00 C ATOM 357 C ALA A 25 -8.810 -8.196 2.684 1.00 0.00 C ATOM 358 O ALA A 25 -10.005 -8.170 2.941 1.00 0.00 O ATOM 359 CB ALA A 25 -7.424 -8.925 0.770 1.00 0.00 C ATOM 0 H ALA A 25 -6.617 -6.912 2.208 1.00 0.00 H new ATOM 0 HA ALA A 25 -9.045 -7.573 0.644 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.065 -9.779 0.550 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.953 -8.578 -0.150 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.654 -9.223 1.481 1.00 0.00 H new ATOM 365 N ILE A 26 -7.888 -8.430 3.551 1.00 0.00 N ATOM 366 CA ILE A 26 -8.144 -8.768 4.881 1.00 0.00 C ATOM 367 C ILE A 26 -8.336 -7.483 5.698 1.00 0.00 C ATOM 368 O ILE A 26 -9.137 -7.428 6.617 1.00 0.00 O ATOM 369 CB ILE A 26 -6.989 -9.647 5.440 1.00 0.00 C ATOM 370 CG1 ILE A 26 -7.151 -9.843 6.918 1.00 0.00 C ATOM 371 CG2 ILE A 26 -5.635 -9.015 5.129 1.00 0.00 C ATOM 372 CD1 ILE A 26 -6.159 -10.799 7.549 1.00 0.00 C ATOM 0 H ILE A 26 -6.894 -8.385 3.328 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.059 -9.356 4.951 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.031 -10.622 4.955 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -7.063 -8.874 7.410 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -8.159 -10.208 7.113 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -4.839 -9.644 5.528 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -5.517 -8.921 4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.581 -8.027 5.587 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -6.356 -10.875 8.618 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -6.260 -11.783 7.091 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -5.146 -10.428 7.393 1.00 0.00 H new ATOM 384 N LEU A 27 -7.614 -6.436 5.313 1.00 0.00 N ATOM 385 CA LEU A 27 -7.714 -5.148 5.974 1.00 0.00 C ATOM 386 C LEU A 27 -9.070 -4.552 5.725 1.00 0.00 C ATOM 387 O LEU A 27 -9.744 -4.091 6.645 1.00 0.00 O ATOM 388 CB LEU A 27 -6.565 -4.218 5.481 1.00 0.00 C ATOM 389 CG LEU A 27 -6.872 -2.783 4.931 1.00 0.00 C ATOM 390 CD1 LEU A 27 -7.434 -1.843 5.967 1.00 0.00 C ATOM 391 CD2 LEU A 27 -5.629 -2.183 4.311 1.00 0.00 C ATOM 0 H LEU A 27 -6.949 -6.459 4.540 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.603 -5.270 7.051 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.870 -4.100 6.312 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.034 -4.755 4.695 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.647 -2.909 4.175 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.621 -0.870 5.512 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.368 -2.247 6.356 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.719 -1.731 6.782 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.856 -1.186 3.933 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.843 -2.115 5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.291 -2.815 3.489 1.00 0.00 H new ATOM 403 N SER A 28 -9.475 -4.598 4.501 1.00 0.00 N ATOM 404 CA SER A 28 -10.706 -3.960 4.109 1.00 0.00 C ATOM 405 C SER A 28 -11.925 -4.778 4.505 1.00 0.00 C ATOM 406 O SER A 28 -12.997 -4.222 4.731 1.00 0.00 O ATOM 407 CB SER A 28 -10.714 -3.743 2.621 1.00 0.00 C ATOM 408 OG SER A 28 -10.749 -4.996 1.949 1.00 0.00 O ATOM 0 H SER A 28 -8.977 -5.070 3.746 1.00 0.00 H new ATOM 0 HA SER A 28 -10.760 -3.005 4.631 1.00 0.00 H new ATOM 0 HB2 SER A 28 -11.579 -3.144 2.337 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.827 -3.185 2.321 1.00 0.00 H new ATOM 0 HG SER A 28 -10.201 -4.948 1.138 1.00 0.00 H new ATOM 414 N SER A 29 -11.731 -6.097 4.565 1.00 0.00 N ATOM 415 CA SER A 29 -12.782 -7.079 4.809 1.00 0.00 C ATOM 416 C SER A 29 -13.625 -7.281 3.534 1.00 0.00 C ATOM 417 O SER A 29 -14.718 -7.823 3.572 1.00 0.00 O ATOM 418 CB SER A 29 -13.632 -6.731 6.048 1.00 0.00 C ATOM 419 OG SER A 29 -12.801 -6.594 7.204 1.00 0.00 O ATOM 0 H SER A 29 -10.811 -6.520 4.441 1.00 0.00 H new ATOM 0 HA SER A 29 -12.313 -8.034 5.046 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.177 -5.804 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.375 -7.511 6.217 1.00 0.00 H new ATOM 0 HG SER A 29 -13.355 -6.372 7.981 1.00 0.00 H new ATOM 425 N THR A 30 -13.048 -6.834 2.394 1.00 0.00 N ATOM 426 CA THR A 30 -13.516 -7.015 1.006 1.00 0.00 C ATOM 427 C THR A 30 -14.861 -6.389 0.625 1.00 0.00 C ATOM 428 O THR A 30 -15.005 -5.825 -0.457 1.00 0.00 O ATOM 429 CB THR A 30 -13.545 -8.500 0.570 1.00 0.00 C ATOM 430 OG1 THR A 30 -14.490 -9.264 1.341 1.00 0.00 O ATOM 431 CG2 THR A 30 -12.202 -9.139 0.689 1.00 0.00 C ATOM 0 H THR A 30 -12.180 -6.299 2.426 1.00 0.00 H new ATOM 0 HA THR A 30 -12.754 -6.452 0.467 1.00 0.00 H new ATOM 0 HB THR A 30 -13.851 -8.500 -0.476 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.902 -8.687 2.018 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.265 -10.180 0.374 1.00 0.00 H new ATOM 0 HG22 THR A 30 -11.490 -8.610 0.055 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.868 -9.094 1.726 1.00 0.00 H new ATOM 439 N ASN A 31 -15.802 -6.394 1.512 1.00 0.00 N ATOM 440 CA ASN A 31 -17.190 -6.201 1.115 1.00 0.00 C ATOM 441 C ASN A 31 -17.611 -4.810 1.423 1.00 0.00 C ATOM 442 O ASN A 31 -18.782 -4.480 1.550 1.00 0.00 O ATOM 443 CB ASN A 31 -18.053 -7.217 1.843 1.00 0.00 C ATOM 444 CG ASN A 31 -19.242 -7.631 1.023 1.00 0.00 C ATOM 445 OD1 ASN A 31 -20.318 -7.047 1.108 1.00 0.00 O ATOM 446 ND2 ASN A 31 -19.047 -8.632 0.204 1.00 0.00 N ATOM 0 H ASN A 31 -15.654 -6.527 2.512 1.00 0.00 H new ATOM 0 HA ASN A 31 -17.303 -6.352 0.041 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -17.455 -8.095 2.084 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.393 -6.794 2.788 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -19.806 -8.955 -0.396 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -18.136 -9.089 0.165 1.00 0.00 H new ATOM 453 N VAL A 32 -16.629 -3.993 1.477 1.00 0.00 N ATOM 454 CA VAL A 32 -16.768 -2.630 1.827 1.00 0.00 C ATOM 455 C VAL A 32 -16.607 -1.743 0.604 1.00 0.00 C ATOM 456 O VAL A 32 -16.582 -0.514 0.704 1.00 0.00 O ATOM 457 CB VAL A 32 -15.707 -2.272 2.865 1.00 0.00 C ATOM 458 CG1 VAL A 32 -15.903 -3.082 4.127 1.00 0.00 C ATOM 459 CG2 VAL A 32 -14.292 -2.456 2.313 1.00 0.00 C ATOM 0 H VAL A 32 -15.668 -4.265 1.271 1.00 0.00 H new ATOM 0 HA VAL A 32 -17.764 -2.469 2.240 1.00 0.00 H new ATOM 0 HB VAL A 32 -15.826 -1.216 3.109 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.137 -2.813 4.855 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -16.889 -2.874 4.543 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -15.824 -4.144 3.894 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.565 -2.191 3.081 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -14.148 -3.496 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -14.154 -1.812 1.445 1.00 0.00 H new ATOM 469 N GLY A 33 -16.501 -2.369 -0.536 1.00 0.00 N ATOM 470 CA GLY A 33 -16.284 -1.641 -1.762 1.00 0.00 C ATOM 471 C GLY A 33 -14.832 -1.620 -2.134 1.00 0.00 C ATOM 472 O GLY A 33 -14.391 -0.792 -2.912 1.00 0.00 O ATOM 0 H GLY A 33 -16.561 -3.381 -0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.861 -2.098 -2.566 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.648 -0.620 -1.650 1.00 0.00 H new ATOM 476 N SER A 34 -14.086 -2.528 -1.567 1.00 0.00 N ATOM 477 CA SER A 34 -12.684 -2.629 -1.826 1.00 0.00 C ATOM 478 C SER A 34 -12.288 -4.090 -1.884 1.00 0.00 C ATOM 479 O SER A 34 -12.088 -4.739 -0.850 1.00 0.00 O ATOM 480 CB SER A 34 -11.889 -1.885 -0.751 1.00 0.00 C ATOM 481 OG SER A 34 -12.310 -0.525 -0.668 1.00 0.00 O ATOM 0 H SER A 34 -14.440 -3.221 -0.908 1.00 0.00 H new ATOM 0 HA SER A 34 -12.457 -2.166 -2.786 1.00 0.00 H new ATOM 0 HB2 SER A 34 -12.026 -2.373 0.214 1.00 0.00 H new ATOM 0 HB3 SER A 34 -10.825 -1.929 -0.982 1.00 0.00 H new ATOM 0 HG SER A 34 -11.793 -0.064 0.025 1.00 0.00 H new ATOM 487 N ASN A 35 -12.249 -4.611 -3.082 1.00 0.00 N ATOM 488 CA ASN A 35 -11.893 -5.979 -3.329 1.00 0.00 C ATOM 489 C ASN A 35 -11.324 -6.066 -4.710 1.00 0.00 C ATOM 490 O ASN A 35 -12.046 -5.976 -5.704 1.00 0.00 O ATOM 491 CB ASN A 35 -13.097 -6.914 -3.206 1.00 0.00 C ATOM 492 CG ASN A 35 -12.736 -8.357 -3.524 1.00 0.00 C ATOM 493 OD1 ASN A 35 -11.604 -8.796 -3.303 1.00 0.00 O ATOM 494 ND2 ASN A 35 -13.668 -9.094 -4.044 1.00 0.00 N ATOM 0 H ASN A 35 -12.468 -4.085 -3.928 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.164 -6.295 -2.583 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.499 -6.856 -2.194 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.885 -6.581 -3.881 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.475 -10.067 -4.283 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.594 -8.701 -4.214 1.00 0.00 H new ATOM 501 N THR A 36 -10.049 -6.215 -4.782 1.00 0.00 N ATOM 502 CA THR A 36 -9.366 -6.227 -6.041 1.00 0.00 C ATOM 503 C THR A 36 -9.175 -7.680 -6.539 1.00 0.00 C ATOM 504 O THR A 36 -8.462 -7.946 -7.517 1.00 0.00 O ATOM 505 CB THR A 36 -8.008 -5.518 -5.879 1.00 0.00 C ATOM 506 OG1 THR A 36 -8.173 -4.386 -4.994 1.00 0.00 O ATOM 507 CG2 THR A 36 -7.548 -4.980 -7.203 1.00 0.00 C ATOM 0 H THR A 36 -9.442 -6.333 -3.971 1.00 0.00 H new ATOM 0 HA THR A 36 -9.960 -5.698 -6.786 1.00 0.00 H new ATOM 0 HB THR A 36 -7.285 -6.232 -5.485 1.00 0.00 H new ATOM 0 HG1 THR A 36 -7.313 -3.929 -4.883 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.587 -4.480 -7.079 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.441 -5.801 -7.912 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.281 -4.267 -7.581 1.00 0.00 H new HETATM 515 N TYC A 37 -9.846 -8.597 -5.877 1.00 0.00 N HETATM 516 CA TYC A 37 -9.745 -10.009 -6.177 1.00 0.00 C HETATM 517 C TYC A 37 -11.044 -10.506 -6.796 1.00 0.00 C HETATM 518 O TYC A 37 -12.000 -10.868 -6.092 1.00 0.00 O HETATM 519 CB TYC A 37 -9.416 -10.797 -4.899 1.00 0.00 C HETATM 520 CG TYC A 37 -8.122 -10.366 -4.243 1.00 0.00 C HETATM 521 CD1 TYC A 37 -6.930 -11.021 -4.511 1.00 0.00 C HETATM 522 CD2 TYC A 37 -8.092 -9.287 -3.368 1.00 0.00 C HETATM 523 CE1 TYC A 37 -5.751 -10.613 -3.925 1.00 0.00 C HETATM 524 CE2 TYC A 37 -6.921 -8.878 -2.784 1.00 0.00 C HETATM 525 OH TYC A 37 -4.592 -9.127 -2.482 1.00 0.00 O HETATM 526 CZ TYC A 37 -5.758 -9.541 -3.063 1.00 0.00 C HETATM 527 NXT TYC A 37 -11.096 -10.504 -8.102 1.00 0.00 N HETATM 0 HT22 TYC A 37 -11.938 -10.825 -8.579 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -10.294 -10.181 -8.644 1.00 0.00 H new HETATM 0 HH TYC A 37 -3.840 -9.328 -3.078 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -6.917 -8.029 -2.101 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -4.820 -11.136 -4.143 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -9.017 -8.756 -3.142 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -6.925 -11.870 -5.194 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -10.233 -10.678 -4.187 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -9.356 -11.858 -5.141 1.00 0.00 H new HETATM 0 HA TYC A 37 -8.940 -10.164 -6.895 1.00 0.00 H new TER 539 TYC A 37