USER MOD reduce.3.24.130724 H: found=0, std=0, add=264, rem=0, adj=12 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 Set 1.1: A 9 THR OG1 : rot -121:sc= 1.29 USER MOD Set 1.2: A 10 GLN : amide:sc= 0.0405 K(o=1.3,f=0.71) USER MOD Single : A 1 LYS N :NH3+ 133:sc= 0.138 (180deg=-0.0488) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.012 X(o=-0.012,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0765 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.75! K(o=-1.8!,f=-0.0098) USER MOD Single : A 18 HIS : no HD1:sc= -2.17! K(o=-2.2!,f=-0.51) USER MOD Single : A 19 SER OG : rot 161:sc= 0.0462 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0335 USER MOD Single : A 21 ASN : amide:sc= -0.109 K(o=-0.11,f=-1) USER MOD Single : A 22 ASN : amide:sc= -0.518 X(o=-0.52,f=-0.042) USER MOD Single : A 28 SER OG : rot 180:sc= -0.635 USER MOD Single : A 29 SER OG : rot -13:sc= 0.783 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc=-0.00193 X(o=-0.0019,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.239 K(o=-0.24,f=-1!) USER MOD Single : A 36 THR OG1 : rot -162:sc= 0.747 USER MOD Single : A 37 TYC OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 10.429 5.619 9.345 1.00 0.00 N ATOM 2 CA LYS A 1 9.895 5.856 8.019 1.00 0.00 C ATOM 3 C LYS A 1 10.947 6.551 7.185 1.00 0.00 C ATOM 4 O LYS A 1 11.859 7.173 7.736 1.00 0.00 O ATOM 5 CB LYS A 1 8.605 6.699 8.085 1.00 0.00 C ATOM 6 CG LYS A 1 8.776 8.083 8.700 1.00 0.00 C ATOM 7 CD LYS A 1 7.455 8.825 8.756 1.00 0.00 C ATOM 8 CE LYS A 1 7.617 10.213 9.347 1.00 0.00 C ATOM 9 NZ LYS A 1 6.321 10.916 9.472 1.00 0.00 N ATOM 0 H1 LYS A 1 9.731 5.911 10.058 1.00 0.00 H new ATOM 0 H2 LYS A 1 10.638 4.607 9.459 1.00 0.00 H new ATOM 0 H3 LYS A 1 11.303 6.169 9.471 1.00 0.00 H new ATOM 0 HA LYS A 1 9.637 4.902 7.559 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.210 6.812 7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 1 7.859 6.151 8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 1 9.186 7.989 9.705 1.00 0.00 H new ATOM 0 HG3 LYS A 1 9.494 8.658 8.115 1.00 0.00 H new ATOM 0 HD2 LYS A 1 7.038 8.903 7.752 1.00 0.00 H new ATOM 0 HD3 LYS A 1 6.743 8.256 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 1 8.085 10.137 10.329 1.00 0.00 H new ATOM 0 HE3 LYS A 1 8.288 10.799 8.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.476 11.860 9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.886 11.012 8.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.689 10.371 10.092 1.00 0.00 H new ATOM 25 N CYS A 2 10.829 6.449 5.892 1.00 0.00 N ATOM 26 CA CYS A 2 11.743 7.073 4.975 1.00 0.00 C ATOM 27 C CYS A 2 10.991 7.479 3.716 1.00 0.00 C ATOM 28 O CYS A 2 9.947 6.900 3.400 1.00 0.00 O ATOM 29 CB CYS A 2 12.918 6.142 4.673 1.00 0.00 C ATOM 30 SG CYS A 2 12.441 4.456 4.173 1.00 0.00 S ATOM 0 H CYS A 2 10.084 5.922 5.437 1.00 0.00 H new ATOM 0 HA CYS A 2 12.163 7.973 5.424 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.521 6.585 3.880 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.551 6.079 5.558 1.00 0.00 H new ATOM 35 N ASN A 3 11.518 8.440 2.994 1.00 0.00 N ATOM 36 CA ASN A 3 10.799 9.036 1.869 1.00 0.00 C ATOM 37 C ASN A 3 11.708 9.260 0.672 1.00 0.00 C ATOM 38 O ASN A 3 11.374 10.012 -0.243 1.00 0.00 O ATOM 39 CB ASN A 3 10.160 10.378 2.291 1.00 0.00 C ATOM 40 CG ASN A 3 11.177 11.449 2.690 1.00 0.00 C ATOM 41 OD1 ASN A 3 11.579 11.538 3.848 1.00 0.00 O ATOM 42 ND2 ASN A 3 11.579 12.268 1.754 1.00 0.00 N ATOM 0 H ASN A 3 12.445 8.834 3.158 1.00 0.00 H new ATOM 0 HA ASN A 3 10.019 8.334 1.575 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.553 10.755 1.468 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.486 10.201 3.129 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.246 13.008 1.975 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.226 12.167 0.802 1.00 0.00 H new ATOM 49 N THR A 4 12.820 8.588 0.646 1.00 0.00 N ATOM 50 CA THR A 4 13.725 8.738 -0.455 1.00 0.00 C ATOM 51 C THR A 4 13.530 7.600 -1.424 1.00 0.00 C ATOM 52 O THR A 4 13.050 6.525 -1.045 1.00 0.00 O ATOM 53 CB THR A 4 15.223 8.820 0.001 1.00 0.00 C ATOM 54 OG1 THR A 4 16.081 8.913 -1.138 1.00 0.00 O ATOM 55 CG2 THR A 4 15.626 7.599 0.804 1.00 0.00 C ATOM 0 H THR A 4 13.121 7.935 1.369 1.00 0.00 H new ATOM 0 HA THR A 4 13.497 9.685 -0.943 1.00 0.00 H new ATOM 0 HB THR A 4 15.323 9.707 0.626 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.014 8.965 -0.842 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.670 7.689 1.104 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.999 7.524 1.692 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.500 6.704 0.194 1.00 0.00 H new ATOM 63 N ALA A 5 13.928 7.825 -2.654 1.00 0.00 N ATOM 64 CA ALA A 5 13.784 6.876 -3.748 1.00 0.00 C ATOM 65 C ALA A 5 14.594 5.624 -3.486 1.00 0.00 C ATOM 66 O ALA A 5 14.377 4.597 -4.085 1.00 0.00 O ATOM 67 CB ALA A 5 14.209 7.513 -5.055 1.00 0.00 C ATOM 0 H ALA A 5 14.375 8.697 -2.936 1.00 0.00 H new ATOM 0 HA ALA A 5 12.734 6.594 -3.819 1.00 0.00 H new ATOM 0 HB1 ALA A 5 14.096 6.792 -5.865 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.585 8.384 -5.255 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.252 7.822 -4.987 1.00 0.00 H new ATOM 73 N THR A 6 15.536 5.735 -2.607 1.00 0.00 N ATOM 74 CA THR A 6 16.347 4.630 -2.222 1.00 0.00 C ATOM 75 C THR A 6 15.617 3.725 -1.190 1.00 0.00 C ATOM 76 O THR A 6 15.872 2.522 -1.116 1.00 0.00 O ATOM 77 CB THR A 6 17.635 5.171 -1.587 1.00 0.00 C ATOM 78 OG1 THR A 6 18.264 6.088 -2.493 1.00 0.00 O ATOM 79 CG2 THR A 6 18.588 4.048 -1.246 1.00 0.00 C ATOM 0 H THR A 6 15.766 6.607 -2.131 1.00 0.00 H new ATOM 0 HA THR A 6 16.566 4.031 -3.106 1.00 0.00 H new ATOM 0 HB THR A 6 17.376 5.686 -0.662 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.086 6.436 -2.088 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.492 4.461 -0.798 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.111 3.368 -0.540 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.849 3.504 -2.154 1.00 0.00 H new ATOM 87 N CYS A 7 14.656 4.286 -0.478 1.00 0.00 N ATOM 88 CA CYS A 7 14.113 3.622 0.698 1.00 0.00 C ATOM 89 C CYS A 7 12.628 3.423 0.614 1.00 0.00 C ATOM 90 O CYS A 7 12.129 2.331 0.846 1.00 0.00 O ATOM 91 CB CYS A 7 14.376 4.491 1.869 1.00 0.00 C ATOM 92 SG CYS A 7 14.176 3.678 3.487 1.00 0.00 S ATOM 0 H CYS A 7 14.237 5.192 -0.689 1.00 0.00 H new ATOM 0 HA CYS A 7 14.585 2.643 0.777 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.393 4.877 1.796 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.705 5.349 1.824 1.00 0.00 H new ATOM 97 N ALA A 8 11.911 4.484 0.266 1.00 0.00 N ATOM 98 CA ALA A 8 10.463 4.458 0.219 1.00 0.00 C ATOM 99 C ALA A 8 10.015 3.460 -0.805 1.00 0.00 C ATOM 100 O ALA A 8 8.988 2.829 -0.669 1.00 0.00 O ATOM 101 CB ALA A 8 9.934 5.830 -0.119 1.00 0.00 C ATOM 0 H ALA A 8 12.320 5.383 0.010 1.00 0.00 H new ATOM 0 HA ALA A 8 10.073 4.167 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.845 5.802 -0.152 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.256 6.541 0.642 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.319 6.139 -1.091 1.00 0.00 H new ATOM 107 N THR A 9 10.850 3.281 -1.789 1.00 0.00 N ATOM 108 CA THR A 9 10.597 2.346 -2.866 1.00 0.00 C ATOM 109 C THR A 9 10.641 0.913 -2.360 1.00 0.00 C ATOM 110 O THR A 9 9.954 0.029 -2.856 1.00 0.00 O ATOM 111 CB THR A 9 11.616 2.541 -3.943 1.00 0.00 C ATOM 112 OG1 THR A 9 12.908 2.607 -3.310 1.00 0.00 O ATOM 113 CG2 THR A 9 11.341 3.827 -4.697 1.00 0.00 C ATOM 0 H THR A 9 11.735 3.781 -1.874 1.00 0.00 H new ATOM 0 HA THR A 9 9.601 2.534 -3.267 1.00 0.00 H new ATOM 0 HB THR A 9 11.579 1.718 -4.657 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.330 3.467 -3.517 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.090 3.958 -5.478 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.350 3.779 -5.148 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.385 4.670 -4.007 1.00 0.00 H new ATOM 121 N GLN A 10 11.462 0.711 -1.371 1.00 0.00 N ATOM 122 CA GLN A 10 11.636 -0.570 -0.744 1.00 0.00 C ATOM 123 C GLN A 10 10.439 -0.831 0.121 1.00 0.00 C ATOM 124 O GLN A 10 9.941 -1.925 0.176 1.00 0.00 O ATOM 125 CB GLN A 10 12.923 -0.621 0.083 1.00 0.00 C ATOM 126 CG GLN A 10 14.143 -0.084 -0.644 1.00 0.00 C ATOM 127 CD GLN A 10 14.359 -0.673 -2.027 1.00 0.00 C ATOM 128 OE1 GLN A 10 14.028 -1.831 -2.309 1.00 0.00 O ATOM 129 NE2 GLN A 10 14.858 0.138 -2.905 1.00 0.00 N ATOM 0 H GLN A 10 12.042 1.447 -0.968 1.00 0.00 H new ATOM 0 HA GLN A 10 11.724 -1.340 -1.510 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.777 -0.049 0.999 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.113 -1.653 0.378 1.00 0.00 H new ATOM 0 HG2 GLN A 10 14.050 0.998 -0.734 1.00 0.00 H new ATOM 0 HG3 GLN A 10 15.027 -0.279 -0.037 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.119 1.086 -2.633 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.990 -0.171 -3.868 1.00 0.00 H new ATOM 138 N ARG A 11 9.949 0.226 0.755 1.00 0.00 N ATOM 139 CA ARG A 11 8.740 0.147 1.589 1.00 0.00 C ATOM 140 C ARG A 11 7.577 -0.189 0.690 1.00 0.00 C ATOM 141 O ARG A 11 6.701 -0.958 1.056 1.00 0.00 O ATOM 142 CB ARG A 11 8.442 1.478 2.284 1.00 0.00 C ATOM 143 CG ARG A 11 9.621 2.131 2.985 1.00 0.00 C ATOM 144 CD ARG A 11 10.199 1.270 4.075 1.00 0.00 C ATOM 145 NE ARG A 11 9.228 0.973 5.137 1.00 0.00 N ATOM 146 CZ ARG A 11 9.411 0.073 6.115 1.00 0.00 C ATOM 147 NH1 ARG A 11 10.563 -0.599 6.214 1.00 0.00 N ATOM 148 NH2 ARG A 11 8.454 -0.135 7.006 1.00 0.00 N ATOM 0 H ARG A 11 10.367 1.156 0.712 1.00 0.00 H new ATOM 0 HA ARG A 11 8.896 -0.611 2.357 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.052 2.175 1.543 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.651 1.316 3.016 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.397 2.352 2.252 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.304 3.083 3.410 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.556 0.335 3.643 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.064 1.772 4.509 1.00 0.00 H new ATOM 0 HE ARG A 11 8.349 1.490 5.130 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.312 -0.429 5.543 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.693 -1.281 6.961 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.580 0.388 6.948 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.590 -0.819 7.751 1.00 0.00 H new ATOM 162 N LEU A 12 7.606 0.392 -0.495 1.00 0.00 N ATOM 163 CA LEU A 12 6.661 0.121 -1.533 1.00 0.00 C ATOM 164 C LEU A 12 6.764 -1.321 -1.954 1.00 0.00 C ATOM 165 O LEU A 12 5.769 -1.995 -2.117 1.00 0.00 O ATOM 166 CB LEU A 12 6.968 1.015 -2.721 1.00 0.00 C ATOM 167 CG LEU A 12 6.595 2.494 -2.606 1.00 0.00 C ATOM 168 CD1 LEU A 12 6.906 3.216 -3.900 1.00 0.00 C ATOM 169 CD2 LEU A 12 5.126 2.664 -2.246 1.00 0.00 C ATOM 0 H LEU A 12 8.310 1.082 -0.757 1.00 0.00 H new ATOM 0 HA LEU A 12 5.652 0.315 -1.169 1.00 0.00 H new ATOM 0 HB2 LEU A 12 8.038 0.952 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.456 0.605 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 12 7.191 2.931 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.636 4.268 -3.804 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.971 3.133 -4.116 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.335 2.767 -4.713 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.890 3.726 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.507 2.208 -3.019 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.927 2.180 -1.290 1.00 0.00 H new ATOM 181 N ALA A 13 7.976 -1.807 -2.061 1.00 0.00 N ATOM 182 CA ALA A 13 8.211 -3.176 -2.436 1.00 0.00 C ATOM 183 C ALA A 13 7.724 -4.123 -1.336 1.00 0.00 C ATOM 184 O ALA A 13 7.292 -5.232 -1.603 1.00 0.00 O ATOM 185 CB ALA A 13 9.672 -3.397 -2.744 1.00 0.00 C ATOM 0 H ALA A 13 8.823 -1.266 -1.891 1.00 0.00 H new ATOM 0 HA ALA A 13 7.643 -3.394 -3.341 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.831 -4.438 -3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 13 9.973 -2.748 -3.567 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.269 -3.165 -1.862 1.00 0.00 H new ATOM 191 N ASN A 14 7.766 -3.638 -0.110 1.00 0.00 N ATOM 192 CA ASN A 14 7.302 -4.374 1.075 1.00 0.00 C ATOM 193 C ASN A 14 5.805 -4.269 1.229 1.00 0.00 C ATOM 194 O ASN A 14 5.209 -4.970 2.037 1.00 0.00 O ATOM 195 CB ASN A 14 7.944 -3.851 2.367 1.00 0.00 C ATOM 196 CG ASN A 14 9.418 -4.186 2.548 1.00 0.00 C ATOM 197 OD1 ASN A 14 9.904 -4.288 3.672 1.00 0.00 O ATOM 198 ND2 ASN A 14 10.128 -4.360 1.486 1.00 0.00 N ATOM 0 H ASN A 14 8.127 -2.709 0.106 1.00 0.00 H new ATOM 0 HA ASN A 14 7.596 -5.412 0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.829 -2.767 2.396 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.391 -4.253 3.216 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.119 -4.588 1.567 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.699 -4.269 0.565 1.00 0.00 H new ATOM 205 N PHE A 15 5.190 -3.435 0.430 1.00 0.00 N ATOM 206 CA PHE A 15 3.798 -3.155 0.561 1.00 0.00 C ATOM 207 C PHE A 15 3.048 -4.151 -0.270 1.00 0.00 C ATOM 208 O PHE A 15 1.861 -4.399 -0.072 1.00 0.00 O ATOM 209 CB PHE A 15 3.546 -1.680 0.132 1.00 0.00 C ATOM 210 CG PHE A 15 2.469 -1.446 -0.906 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.179 -1.135 -0.530 1.00 0.00 C ATOM 212 CD2 PHE A 15 2.760 -1.537 -2.260 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.205 -0.923 -1.478 1.00 0.00 C ATOM 214 CE2 PHE A 15 1.791 -1.329 -3.207 1.00 0.00 C ATOM 215 CZ PHE A 15 0.512 -1.022 -2.817 1.00 0.00 C ATOM 0 H PHE A 15 5.649 -2.933 -0.330 1.00 0.00 H new ATOM 0 HA PHE A 15 3.448 -3.251 1.589 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.290 -1.106 1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.482 -1.273 -0.251 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.931 -1.057 0.518 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.766 -1.775 -2.572 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.802 -0.679 -1.172 1.00 0.00 H new ATOM 0 HE2 PHE A 15 2.034 -1.407 -4.257 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.254 -0.858 -3.560 1.00 0.00 H new ATOM 225 N LEU A 16 3.763 -4.745 -1.183 1.00 0.00 N ATOM 226 CA LEU A 16 3.203 -5.668 -2.041 1.00 0.00 C ATOM 227 C LEU A 16 4.076 -6.925 -2.108 1.00 0.00 C ATOM 228 O LEU A 16 3.934 -7.754 -2.995 1.00 0.00 O ATOM 229 CB LEU A 16 3.054 -5.007 -3.395 1.00 0.00 C ATOM 230 CG LEU A 16 4.174 -5.141 -4.454 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.673 -4.663 -5.800 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.381 -4.338 -4.074 1.00 0.00 C ATOM 0 H LEU A 16 4.759 -4.579 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 16 2.222 -5.987 -1.688 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.138 -5.391 -3.843 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.901 -3.942 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 16 4.454 -6.193 -4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.468 -4.761 -6.540 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.817 -5.266 -6.105 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.373 -3.618 -5.726 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.150 -4.453 -4.838 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.107 -3.286 -3.991 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.765 -4.690 -3.117 1.00 0.00 H new ATOM 244 N VAL A 17 4.938 -7.083 -1.117 1.00 0.00 N ATOM 245 CA VAL A 17 5.926 -8.147 -1.128 1.00 0.00 C ATOM 246 C VAL A 17 5.291 -9.530 -0.956 1.00 0.00 C ATOM 247 O VAL A 17 5.435 -10.390 -1.803 1.00 0.00 O ATOM 248 CB VAL A 17 7.091 -7.887 -0.116 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.653 -7.896 1.352 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.267 -8.808 -0.374 1.00 0.00 C ATOM 0 H VAL A 17 4.973 -6.485 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 17 6.379 -8.142 -2.119 1.00 0.00 H new ATOM 0 HB VAL A 17 7.424 -6.866 -0.301 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.516 -7.709 1.990 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.907 -7.118 1.514 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.224 -8.867 1.598 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.057 -8.600 0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.946 -9.845 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.644 -8.643 -1.383 1.00 0.00 H new ATOM 260 N HIS A 18 4.601 -9.723 0.127 1.00 0.00 N ATOM 261 CA HIS A 18 3.889 -10.971 0.396 1.00 0.00 C ATOM 262 C HIS A 18 2.477 -10.642 0.716 1.00 0.00 C ATOM 263 O HIS A 18 1.670 -11.499 1.054 1.00 0.00 O ATOM 264 CB HIS A 18 4.517 -11.767 1.548 1.00 0.00 C ATOM 265 CG HIS A 18 5.835 -12.371 1.232 1.00 0.00 C ATOM 266 ND1 HIS A 18 6.066 -13.723 1.189 1.00 0.00 N ATOM 267 CD2 HIS A 18 6.989 -11.786 0.952 1.00 0.00 C ATOM 268 CE1 HIS A 18 7.328 -13.937 0.893 1.00 0.00 C ATOM 269 NE2 HIS A 18 7.921 -12.767 0.739 1.00 0.00 N ATOM 0 H HIS A 18 4.505 -9.025 0.864 1.00 0.00 H new ATOM 0 HA HIS A 18 3.951 -11.602 -0.491 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.631 -11.108 2.409 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.829 -12.560 1.842 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.165 -10.722 0.901 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.799 -14.903 0.793 1.00 0.00 H new ATOM 0 HE2 HIS A 18 8.902 -12.620 0.503 1.00 0.00 H new ATOM 278 N SER A 19 2.170 -9.377 0.553 1.00 0.00 N ATOM 279 CA SER A 19 0.876 -8.859 0.816 1.00 0.00 C ATOM 280 C SER A 19 -0.087 -9.317 -0.269 1.00 0.00 C ATOM 281 O SER A 19 -1.285 -9.278 -0.089 1.00 0.00 O ATOM 282 CB SER A 19 0.963 -7.350 0.833 1.00 0.00 C ATOM 283 OG SER A 19 1.977 -6.918 1.730 1.00 0.00 O ATOM 0 H SER A 19 2.836 -8.676 0.227 1.00 0.00 H new ATOM 0 HA SER A 19 0.511 -9.219 1.778 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.176 -6.981 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.003 -6.928 1.130 1.00 0.00 H new ATOM 0 HG SER A 19 2.229 -5.995 1.518 1.00 0.00 H new ATOM 289 N SER A 20 0.486 -9.850 -1.357 1.00 0.00 N ATOM 290 CA SER A 20 -0.209 -10.279 -2.587 1.00 0.00 C ATOM 291 C SER A 20 -1.274 -11.349 -2.326 1.00 0.00 C ATOM 292 O SER A 20 -2.128 -11.624 -3.162 1.00 0.00 O ATOM 293 CB SER A 20 0.849 -10.828 -3.515 1.00 0.00 C ATOM 294 OG SER A 20 1.921 -9.895 -3.613 1.00 0.00 O ATOM 0 H SER A 20 1.493 -10.002 -1.410 1.00 0.00 H new ATOM 0 HA SER A 20 -0.735 -9.427 -3.017 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.217 -11.783 -3.141 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.423 -11.014 -4.501 1.00 0.00 H new ATOM 0 HG SER A 20 2.610 -10.250 -4.213 1.00 0.00 H new ATOM 300 N ASN A 21 -1.233 -11.888 -1.158 1.00 0.00 N ATOM 301 CA ASN A 21 -2.134 -12.943 -0.738 1.00 0.00 C ATOM 302 C ASN A 21 -3.391 -12.363 -0.152 1.00 0.00 C ATOM 303 O ASN A 21 -4.343 -13.065 0.140 1.00 0.00 O ATOM 304 CB ASN A 21 -1.446 -13.875 0.239 1.00 0.00 C ATOM 305 CG ASN A 21 -0.643 -14.963 -0.440 1.00 0.00 C ATOM 306 OD1 ASN A 21 -1.018 -15.474 -1.500 1.00 0.00 O ATOM 307 ND2 ASN A 21 0.481 -15.287 0.122 1.00 0.00 N ATOM 0 H ASN A 21 -0.563 -11.613 -0.440 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.415 -13.529 -1.613 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.786 -13.293 0.883 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.196 -14.334 0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.086 -15.984 -0.312 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.759 -14.845 0.998 1.00 0.00 H new ATOM 314 N ASN A 22 -3.372 -11.085 0.072 1.00 0.00 N ATOM 315 CA ASN A 22 -4.543 -10.354 0.467 1.00 0.00 C ATOM 316 C ASN A 22 -4.819 -9.337 -0.577 1.00 0.00 C ATOM 317 O ASN A 22 -5.961 -9.145 -1.027 1.00 0.00 O ATOM 318 CB ASN A 22 -4.359 -9.719 1.842 1.00 0.00 C ATOM 319 CG ASN A 22 -4.992 -10.544 2.947 1.00 0.00 C ATOM 320 OD1 ASN A 22 -5.457 -10.001 3.952 1.00 0.00 O ATOM 321 ND2 ASN A 22 -5.038 -11.854 2.770 1.00 0.00 N ATOM 0 H ASN A 22 -2.534 -10.510 -0.015 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.395 -11.028 0.555 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -3.295 -9.600 2.045 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -4.797 -8.721 1.840 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.468 -12.449 3.478 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.643 -12.269 1.926 1.00 0.00 H new ATOM 328 N PHE A 23 -3.755 -8.752 -1.003 1.00 0.00 N ATOM 329 CA PHE A 23 -3.689 -7.789 -2.045 1.00 0.00 C ATOM 330 C PHE A 23 -4.219 -8.305 -3.344 1.00 0.00 C ATOM 331 O PHE A 23 -3.546 -8.970 -4.127 1.00 0.00 O ATOM 332 CB PHE A 23 -2.289 -7.282 -2.141 1.00 0.00 C ATOM 333 CG PHE A 23 -2.058 -6.092 -1.279 1.00 0.00 C ATOM 334 CD1 PHE A 23 -1.795 -4.856 -1.820 1.00 0.00 C ATOM 335 CD2 PHE A 23 -2.146 -6.214 0.092 1.00 0.00 C ATOM 336 CE1 PHE A 23 -1.619 -3.761 -1.003 1.00 0.00 C ATOM 337 CE2 PHE A 23 -1.969 -5.143 0.913 1.00 0.00 C ATOM 338 CZ PHE A 23 -1.703 -3.903 0.371 1.00 0.00 C ATOM 0 H PHE A 23 -2.839 -8.950 -0.601 1.00 0.00 H new ATOM 0 HA PHE A 23 -4.346 -6.954 -1.801 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.598 -8.075 -1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.068 -7.025 -3.177 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -1.726 -4.743 -2.892 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -2.360 -7.181 0.524 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -1.416 -2.792 -1.435 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.037 -5.264 1.984 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.561 -3.048 1.015 1.00 0.00 H new ATOM 348 N GLY A 24 -5.456 -8.041 -3.491 1.00 0.00 N ATOM 349 CA GLY A 24 -6.212 -8.404 -4.631 1.00 0.00 C ATOM 350 C GLY A 24 -6.761 -9.778 -4.557 1.00 0.00 C ATOM 351 O GLY A 24 -7.082 -10.399 -5.557 1.00 0.00 O ATOM 0 H GLY A 24 -6.001 -7.541 -2.788 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.033 -7.698 -4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.584 -8.319 -5.517 1.00 0.00 H new ATOM 355 N ALA A 25 -6.892 -10.242 -3.367 1.00 0.00 N ATOM 356 CA ALA A 25 -7.553 -11.454 -3.105 1.00 0.00 C ATOM 357 C ALA A 25 -8.839 -11.035 -2.509 1.00 0.00 C ATOM 358 O ALA A 25 -9.914 -11.199 -3.088 1.00 0.00 O ATOM 359 CB ALA A 25 -6.738 -12.300 -2.149 1.00 0.00 C ATOM 0 H ALA A 25 -6.532 -9.774 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.698 -12.069 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.262 -13.236 -1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.765 -12.514 -2.591 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.600 -11.760 -1.212 1.00 0.00 H new ATOM 365 N ILE A 26 -8.697 -10.352 -1.429 1.00 0.00 N ATOM 366 CA ILE A 26 -9.764 -9.780 -0.738 1.00 0.00 C ATOM 367 C ILE A 26 -10.030 -8.379 -1.290 1.00 0.00 C ATOM 368 O ILE A 26 -11.176 -7.967 -1.431 1.00 0.00 O ATOM 369 CB ILE A 26 -9.484 -9.744 0.786 1.00 0.00 C ATOM 370 CG1 ILE A 26 -10.552 -8.974 1.501 1.00 0.00 C ATOM 371 CG2 ILE A 26 -8.120 -9.136 1.069 1.00 0.00 C ATOM 372 CD1 ILE A 26 -10.425 -8.977 3.012 1.00 0.00 C ATOM 0 H ILE A 26 -7.790 -10.177 -0.996 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.655 -10.391 -0.884 1.00 0.00 H new ATOM 0 HB ILE A 26 -9.489 -10.770 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -10.535 -7.942 1.150 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -11.523 -9.387 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.945 -9.121 2.145 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.348 -9.733 0.584 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.088 -8.118 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -11.239 -8.396 3.447 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -10.474 -10.002 3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -9.471 -8.535 3.298 1.00 0.00 H new ATOM 384 N LEU A 27 -8.951 -7.699 -1.712 1.00 0.00 N ATOM 385 CA LEU A 27 -9.051 -6.332 -2.213 1.00 0.00 C ATOM 386 C LEU A 27 -9.814 -6.329 -3.497 1.00 0.00 C ATOM 387 O LEU A 27 -10.719 -5.525 -3.707 1.00 0.00 O ATOM 388 CB LEU A 27 -7.624 -5.718 -2.342 1.00 0.00 C ATOM 389 CG LEU A 27 -7.104 -5.111 -3.689 1.00 0.00 C ATOM 390 CD1 LEU A 27 -7.905 -3.936 -4.163 1.00 0.00 C ATOM 391 CD2 LEU A 27 -5.641 -4.713 -3.561 1.00 0.00 C ATOM 0 H LEU A 27 -8.004 -8.079 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.602 -5.702 -1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.551 -4.930 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.918 -6.498 -2.055 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.217 -5.895 -4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.489 -3.566 -5.100 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.940 -4.241 -4.320 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.869 -3.145 -3.414 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.294 -4.293 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.534 -3.969 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.045 -5.592 -3.314 1.00 0.00 H new ATOM 403 N SER A 28 -9.488 -7.260 -4.319 1.00 0.00 N ATOM 404 CA SER A 28 -10.149 -7.374 -5.593 1.00 0.00 C ATOM 405 C SER A 28 -11.461 -8.131 -5.427 1.00 0.00 C ATOM 406 O SER A 28 -12.308 -8.163 -6.312 1.00 0.00 O ATOM 407 CB SER A 28 -9.238 -8.036 -6.592 1.00 0.00 C ATOM 408 OG SER A 28 -8.062 -7.265 -6.770 1.00 0.00 O ATOM 0 H SER A 28 -8.768 -7.961 -4.143 1.00 0.00 H new ATOM 0 HA SER A 28 -10.384 -6.381 -5.975 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.977 -9.037 -6.249 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.754 -8.150 -7.545 1.00 0.00 H new ATOM 0 HG SER A 28 -7.477 -7.706 -7.420 1.00 0.00 H new ATOM 414 N SER A 29 -11.569 -8.755 -4.265 1.00 0.00 N ATOM 415 CA SER A 29 -12.748 -9.452 -3.795 1.00 0.00 C ATOM 416 C SER A 29 -13.058 -10.693 -4.623 1.00 0.00 C ATOM 417 O SER A 29 -14.173 -11.195 -4.621 1.00 0.00 O ATOM 418 CB SER A 29 -13.927 -8.487 -3.722 1.00 0.00 C ATOM 419 OG SER A 29 -13.588 -7.359 -2.902 1.00 0.00 O ATOM 0 H SER A 29 -10.800 -8.789 -3.596 1.00 0.00 H new ATOM 0 HA SER A 29 -12.549 -9.820 -2.788 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.195 -8.151 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.799 -8.996 -3.312 1.00 0.00 H new ATOM 0 HG SER A 29 -12.763 -7.549 -2.409 1.00 0.00 H new ATOM 425 N THR A 30 -12.043 -11.222 -5.261 1.00 0.00 N ATOM 426 CA THR A 30 -12.181 -12.433 -6.024 1.00 0.00 C ATOM 427 C THR A 30 -12.060 -13.625 -5.067 1.00 0.00 C ATOM 428 O THR A 30 -12.531 -14.733 -5.337 1.00 0.00 O ATOM 429 CB THR A 30 -11.112 -12.511 -7.159 1.00 0.00 C ATOM 430 OG1 THR A 30 -11.322 -13.665 -7.986 1.00 0.00 O ATOM 431 CG2 THR A 30 -9.688 -12.535 -6.597 1.00 0.00 C ATOM 0 H THR A 30 -11.103 -10.826 -5.265 1.00 0.00 H new ATOM 0 HA THR A 30 -13.157 -12.450 -6.509 1.00 0.00 H new ATOM 0 HB THR A 30 -11.228 -11.612 -7.764 1.00 0.00 H new ATOM 0 HG1 THR A 30 -10.641 -13.691 -8.690 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.974 -12.590 -7.418 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.509 -11.628 -6.020 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.566 -13.405 -5.952 1.00 0.00 H new ATOM 439 N ASN A 31 -11.481 -13.363 -3.916 1.00 0.00 N ATOM 440 CA ASN A 31 -11.275 -14.367 -2.918 1.00 0.00 C ATOM 441 C ASN A 31 -11.845 -13.891 -1.601 1.00 0.00 C ATOM 442 O ASN A 31 -11.152 -13.323 -0.747 1.00 0.00 O ATOM 443 CB ASN A 31 -9.785 -14.753 -2.820 1.00 0.00 C ATOM 444 CG ASN A 31 -9.487 -15.832 -1.795 1.00 0.00 C ATOM 445 OD1 ASN A 31 -9.527 -17.025 -2.097 1.00 0.00 O ATOM 446 ND2 ASN A 31 -9.153 -15.431 -0.602 1.00 0.00 N ATOM 0 H ASN A 31 -11.141 -12.438 -3.653 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.804 -15.278 -3.200 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.444 -15.093 -3.798 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.206 -13.863 -2.573 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.914 -16.114 0.117 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.130 -14.434 -0.387 1.00 0.00 H new ATOM 453 N VAL A 32 -13.144 -14.009 -1.522 1.00 0.00 N ATOM 454 CA VAL A 32 -13.932 -13.671 -0.344 1.00 0.00 C ATOM 455 C VAL A 32 -15.037 -14.704 -0.262 1.00 0.00 C ATOM 456 O VAL A 32 -15.290 -15.303 0.790 1.00 0.00 O ATOM 457 CB VAL A 32 -14.580 -12.243 -0.435 1.00 0.00 C ATOM 458 CG1 VAL A 32 -15.405 -11.942 0.809 1.00 0.00 C ATOM 459 CG2 VAL A 32 -13.533 -11.156 -0.632 1.00 0.00 C ATOM 0 H VAL A 32 -13.711 -14.354 -2.297 1.00 0.00 H new ATOM 0 HA VAL A 32 -13.284 -13.666 0.532 1.00 0.00 H new ATOM 0 HB VAL A 32 -15.234 -12.246 -1.307 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -15.844 -10.948 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -16.199 -12.682 0.907 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.763 -11.980 1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -14.024 -10.184 -0.690 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.839 -11.163 0.209 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.985 -11.341 -1.556 1.00 0.00 H new ATOM 469 N GLY A 33 -15.679 -14.922 -1.399 1.00 0.00 N ATOM 470 CA GLY A 33 -16.712 -15.915 -1.502 1.00 0.00 C ATOM 471 C GLY A 33 -18.059 -15.307 -1.796 1.00 0.00 C ATOM 472 O GLY A 33 -19.075 -15.992 -1.747 1.00 0.00 O ATOM 0 H GLY A 33 -15.494 -14.415 -2.264 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.455 -16.623 -2.290 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.765 -16.479 -0.571 1.00 0.00 H new ATOM 476 N SER A 34 -18.087 -14.040 -2.141 1.00 0.00 N ATOM 477 CA SER A 34 -19.361 -13.391 -2.373 1.00 0.00 C ATOM 478 C SER A 34 -19.414 -12.706 -3.742 1.00 0.00 C ATOM 479 O SER A 34 -20.317 -12.970 -4.522 1.00 0.00 O ATOM 480 CB SER A 34 -19.692 -12.419 -1.223 1.00 0.00 C ATOM 481 OG SER A 34 -21.019 -11.896 -1.320 1.00 0.00 O ATOM 0 H SER A 34 -17.265 -13.449 -2.265 1.00 0.00 H new ATOM 0 HA SER A 34 -20.132 -14.161 -2.388 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.576 -12.934 -0.270 1.00 0.00 H new ATOM 0 HB3 SER A 34 -18.978 -11.596 -1.229 1.00 0.00 H new ATOM 0 HG SER A 34 -21.186 -11.287 -0.571 1.00 0.00 H new ATOM 487 N ASN A 35 -18.428 -11.866 -4.047 1.00 0.00 N ATOM 488 CA ASN A 35 -18.390 -11.120 -5.329 1.00 0.00 C ATOM 489 C ASN A 35 -18.246 -12.089 -6.497 1.00 0.00 C ATOM 490 O ASN A 35 -18.810 -11.890 -7.581 1.00 0.00 O ATOM 491 CB ASN A 35 -17.228 -10.088 -5.299 1.00 0.00 C ATOM 492 CG ASN A 35 -17.133 -9.148 -6.514 1.00 0.00 C ATOM 493 OD1 ASN A 35 -17.464 -9.492 -7.640 1.00 0.00 O ATOM 494 ND2 ASN A 35 -16.683 -7.946 -6.273 1.00 0.00 N ATOM 0 H ASN A 35 -17.637 -11.676 -3.431 1.00 0.00 H new ATOM 0 HA ASN A 35 -19.325 -10.576 -5.463 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -17.331 -9.480 -4.400 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.287 -10.631 -5.210 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.601 -7.270 -7.033 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.413 -7.683 -5.325 1.00 0.00 H new ATOM 501 N THR A 36 -17.536 -13.148 -6.251 1.00 0.00 N ATOM 502 CA THR A 36 -17.314 -14.163 -7.237 1.00 0.00 C ATOM 503 C THR A 36 -18.157 -15.405 -6.951 1.00 0.00 C ATOM 504 O THR A 36 -17.960 -16.449 -7.563 1.00 0.00 O ATOM 505 CB THR A 36 -15.826 -14.515 -7.318 1.00 0.00 C ATOM 506 OG1 THR A 36 -15.312 -14.747 -5.994 1.00 0.00 O ATOM 507 CG2 THR A 36 -15.044 -13.394 -7.980 1.00 0.00 C ATOM 0 H THR A 36 -17.090 -13.334 -5.353 1.00 0.00 H new ATOM 0 HA THR A 36 -17.626 -13.770 -8.205 1.00 0.00 H new ATOM 0 HB THR A 36 -15.714 -15.418 -7.919 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.333 -14.695 -6.009 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.989 -13.665 -8.027 1.00 0.00 H new ATOM 0 HG22 THR A 36 -15.423 -13.233 -8.989 1.00 0.00 H new ATOM 0 HG23 THR A 36 -15.158 -12.479 -7.399 1.00 0.00 H new HETATM 515 N TYC A 37 -19.118 -15.241 -6.032 1.00 0.00 N HETATM 516 CA TYC A 37 -20.084 -16.264 -5.638 1.00 0.00 C HETATM 517 C TYC A 37 -19.431 -17.607 -5.279 1.00 0.00 C HETATM 518 O TYC A 37 -19.366 -18.523 -6.091 1.00 0.00 O HETATM 519 CB TYC A 37 -21.144 -16.428 -6.732 1.00 0.00 C HETATM 520 CG TYC A 37 -21.858 -15.136 -7.080 1.00 0.00 C HETATM 521 CD1 TYC A 37 -21.382 -14.300 -8.085 1.00 0.00 C HETATM 522 CD2 TYC A 37 -22.991 -14.749 -6.394 1.00 0.00 C HETATM 523 CE1 TYC A 37 -22.019 -13.116 -8.386 1.00 0.00 C HETATM 524 CE2 TYC A 37 -23.636 -13.572 -6.691 1.00 0.00 C HETATM 525 OH TYC A 37 -23.787 -11.570 -7.974 1.00 0.00 O HETATM 526 CZ TYC A 37 -23.145 -12.757 -7.685 1.00 0.00 C HETATM 527 NXT TYC A 37 -18.964 -17.721 -4.061 1.00 0.00 N HETATM 0 HT22 TYC A 37 -18.519 -18.590 -3.765 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -19.045 -16.941 -3.409 1.00 0.00 H new HETATM 0 HH TYC A 37 -24.566 -11.469 -7.388 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -24.533 -13.286 -6.141 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -21.633 -12.469 -9.174 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -23.382 -15.388 -5.602 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -20.491 -14.586 -8.643 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -20.670 -16.825 -7.630 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -21.879 -17.164 -6.407 1.00 0.00 H new HETATM 0 HA TYC A 37 -20.566 -15.921 -4.722 1.00 0.00 H new TER 539 TYC A 37