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 28 SER OG : rot -22:sc= 0.238 USER MOD Set 1.2: A 35 ASN : amide:sc= 0.822 K(o=1.1,f=0.26) USER MOD Set 2.1: A 18 HIS : no HD1:sc= -3.05! C(o=-1.9!,f=-0.48!) USER MOD Set 2.2: A 19 SER OG : rot 142:sc= 1.13 USER MOD Set 3.1: A 9 THR OG1 : rot -128:sc= 1.32 USER MOD Set 3.2: A 10 GLN : amide:sc= 0 X(o=1.3,f=0.96) USER MOD Set 4.1: A 4 THR OG1 : rot 180:sc= -0.0346 USER MOD Set 4.2: A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -125:sc= 0.0477 (180deg=-0.0194) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.024) USER MOD Single : A 14 ASN : amide:sc= -1.4 K(o=-1.4,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.0149 USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 22 ASN : amide:sc= -0.958! K(o=-0.96!,f=-0.075) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.521 K(o=-0.52,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYC OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 10.207 6.339 9.290 1.00 0.00 N ATOM 2 CA LYS A 1 9.850 6.265 7.881 1.00 0.00 C ATOM 3 C LYS A 1 10.873 7.012 7.059 1.00 0.00 C ATOM 4 O LYS A 1 11.532 7.930 7.555 1.00 0.00 O ATOM 5 CB LYS A 1 8.460 6.858 7.617 1.00 0.00 C ATOM 6 CG LYS A 1 7.322 6.149 8.325 1.00 0.00 C ATOM 7 CD LYS A 1 5.990 6.756 7.943 1.00 0.00 C ATOM 8 CE LYS A 1 4.840 6.081 8.664 1.00 0.00 C ATOM 9 NZ LYS A 1 3.535 6.644 8.262 1.00 0.00 N ATOM 0 H1 LYS A 1 10.271 5.378 9.683 1.00 0.00 H new ATOM 0 H2 LYS A 1 11.126 6.816 9.391 1.00 0.00 H new ATOM 0 H3 LYS A 1 9.480 6.876 9.805 1.00 0.00 H new ATOM 0 HA LYS A 1 9.831 5.213 7.597 1.00 0.00 H new ATOM 0 HB2 LYS A 1 8.463 7.905 7.922 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.270 6.839 6.544 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.331 5.090 8.068 1.00 0.00 H new ATOM 0 HG3 LYS A 1 7.461 6.216 9.404 1.00 0.00 H new ATOM 0 HD2 LYS A 1 5.994 7.820 8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 1 5.846 6.669 6.866 1.00 0.00 H new ATOM 0 HE2 LYS A 1 4.855 5.012 8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 1 4.969 6.195 9.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.774 6.157 8.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 3.511 7.659 8.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 3.401 6.513 7.239 1.00 0.00 H new ATOM 25 N CYS A 2 10.983 6.652 5.819 1.00 0.00 N ATOM 26 CA CYS A 2 11.898 7.269 4.905 1.00 0.00 C ATOM 27 C CYS A 2 11.129 7.694 3.666 1.00 0.00 C ATOM 28 O CYS A 2 10.056 7.155 3.392 1.00 0.00 O ATOM 29 CB CYS A 2 13.022 6.301 4.570 1.00 0.00 C ATOM 30 SG CYS A 2 12.452 4.645 4.088 1.00 0.00 S ATOM 0 H CYS A 2 10.428 5.905 5.403 1.00 0.00 H new ATOM 0 HA CYS A 2 12.353 8.153 5.352 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.618 6.719 3.759 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.679 6.210 5.435 1.00 0.00 H new ATOM 35 N ASN A 3 11.657 8.632 2.920 1.00 0.00 N ATOM 36 CA ASN A 3 10.898 9.237 1.824 1.00 0.00 C ATOM 37 C ASN A 3 11.726 9.355 0.564 1.00 0.00 C ATOM 38 O ASN A 3 11.306 9.983 -0.412 1.00 0.00 O ATOM 39 CB ASN A 3 10.370 10.633 2.230 1.00 0.00 C ATOM 40 CG ASN A 3 11.483 11.640 2.514 1.00 0.00 C ATOM 41 OD1 ASN A 3 11.953 12.340 1.619 1.00 0.00 O ATOM 42 ND2 ASN A 3 11.896 11.735 3.748 1.00 0.00 N ATOM 0 H ASN A 3 12.601 8.999 3.040 1.00 0.00 H new ATOM 0 HA ASN A 3 10.055 8.577 1.617 1.00 0.00 H new ATOM 0 HB2 ASN A 3 9.734 11.019 1.433 1.00 0.00 H new ATOM 0 HB3 ASN A 3 9.744 10.533 3.117 1.00 0.00 H new ATOM 0 HD21 ASN A 3 12.627 12.403 3.991 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.487 11.141 4.470 1.00 0.00 H new ATOM 49 N THR A 4 12.840 8.696 0.533 1.00 0.00 N ATOM 50 CA THR A 4 13.704 8.799 -0.604 1.00 0.00 C ATOM 51 C THR A 4 13.483 7.607 -1.506 1.00 0.00 C ATOM 52 O THR A 4 13.012 6.556 -1.055 1.00 0.00 O ATOM 53 CB THR A 4 15.203 8.880 -0.178 1.00 0.00 C ATOM 54 OG1 THR A 4 16.036 8.995 -1.328 1.00 0.00 O ATOM 55 CG2 THR A 4 15.630 7.654 0.617 1.00 0.00 C ATOM 0 H THR A 4 13.174 8.083 1.277 1.00 0.00 H new ATOM 0 HA THR A 4 13.464 9.718 -1.138 1.00 0.00 H new ATOM 0 HB THR A 4 15.311 9.761 0.455 1.00 0.00 H new ATOM 0 HG1 THR A 4 16.974 9.047 -1.049 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.680 7.748 0.895 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.022 7.575 1.518 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.495 6.760 0.008 1.00 0.00 H new ATOM 63 N ALA A 5 13.840 7.769 -2.753 1.00 0.00 N ATOM 64 CA ALA A 5 13.670 6.772 -3.789 1.00 0.00 C ATOM 65 C ALA A 5 14.520 5.551 -3.510 1.00 0.00 C ATOM 66 O ALA A 5 14.292 4.500 -4.058 1.00 0.00 O ATOM 67 CB ALA A 5 13.987 7.357 -5.150 1.00 0.00 C ATOM 0 H ALA A 5 14.273 8.628 -3.092 1.00 0.00 H new ATOM 0 HA ALA A 5 12.627 6.457 -3.791 1.00 0.00 H new ATOM 0 HB1 ALA A 5 13.853 6.592 -5.915 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.317 8.193 -5.352 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.019 7.708 -5.164 1.00 0.00 H new ATOM 73 N THR A 6 15.509 5.710 -2.674 1.00 0.00 N ATOM 74 CA THR A 6 16.343 4.612 -2.265 1.00 0.00 C ATOM 75 C THR A 6 15.621 3.741 -1.202 1.00 0.00 C ATOM 76 O THR A 6 15.917 2.563 -1.033 1.00 0.00 O ATOM 77 CB THR A 6 17.635 5.171 -1.631 1.00 0.00 C ATOM 78 OG1 THR A 6 18.251 6.121 -2.512 1.00 0.00 O ATOM 79 CG2 THR A 6 18.613 4.059 -1.304 1.00 0.00 C ATOM 0 H THR A 6 15.760 6.606 -2.256 1.00 0.00 H new ATOM 0 HA THR A 6 16.568 4.003 -3.140 1.00 0.00 H new ATOM 0 HB THR A 6 17.362 5.669 -0.701 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.068 6.469 -2.098 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.512 4.485 -0.859 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.153 3.365 -0.600 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.877 3.527 -2.218 1.00 0.00 H new ATOM 87 N CYS A 7 14.637 4.304 -0.542 1.00 0.00 N ATOM 88 CA CYS A 7 14.109 3.669 0.645 1.00 0.00 C ATOM 89 C CYS A 7 12.636 3.459 0.592 1.00 0.00 C ATOM 90 O CYS A 7 12.151 2.377 0.868 1.00 0.00 O ATOM 91 CB CYS A 7 14.370 4.556 1.784 1.00 0.00 C ATOM 92 SG CYS A 7 14.138 3.775 3.407 1.00 0.00 S ATOM 0 H CYS A 7 14.191 5.185 -0.799 1.00 0.00 H new ATOM 0 HA CYS A 7 14.591 2.695 0.731 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.393 4.926 1.715 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.712 5.422 1.713 1.00 0.00 H new ATOM 97 N ALA A 8 11.906 4.498 0.238 1.00 0.00 N ATOM 98 CA ALA A 8 10.467 4.446 0.240 1.00 0.00 C ATOM 99 C ALA A 8 9.994 3.416 -0.751 1.00 0.00 C ATOM 100 O ALA A 8 8.970 2.790 -0.569 1.00 0.00 O ATOM 101 CB ALA A 8 9.900 5.803 -0.071 1.00 0.00 C ATOM 0 H ALA A 8 12.295 5.394 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 8 10.115 4.155 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.811 5.752 -0.067 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.233 6.518 0.682 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.244 6.125 -1.054 1.00 0.00 H new ATOM 107 N THR A 9 10.816 3.195 -1.749 1.00 0.00 N ATOM 108 CA THR A 9 10.553 2.211 -2.791 1.00 0.00 C ATOM 109 C THR A 9 10.600 0.796 -2.221 1.00 0.00 C ATOM 110 O THR A 9 9.911 -0.103 -2.675 1.00 0.00 O ATOM 111 CB THR A 9 11.597 2.336 -3.865 1.00 0.00 C ATOM 112 OG1 THR A 9 12.872 2.428 -3.207 1.00 0.00 O ATOM 113 CG2 THR A 9 11.354 3.571 -4.715 1.00 0.00 C ATOM 0 H THR A 9 11.697 3.694 -1.869 1.00 0.00 H new ATOM 0 HA THR A 9 9.560 2.396 -3.201 1.00 0.00 H new ATOM 0 HB THR A 9 11.562 1.473 -4.531 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.356 3.213 -3.539 1.00 0.00 H new ATOM 0 HG21 THR A 9 12.122 3.640 -5.485 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.373 3.501 -5.186 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.392 4.460 -4.085 1.00 0.00 H new ATOM 121 N GLN A 10 11.431 0.633 -1.220 1.00 0.00 N ATOM 122 CA GLN A 10 11.643 -0.630 -0.533 1.00 0.00 C ATOM 123 C GLN A 10 10.455 -0.901 0.340 1.00 0.00 C ATOM 124 O GLN A 10 9.983 -2.017 0.452 1.00 0.00 O ATOM 125 CB GLN A 10 12.894 -0.552 0.338 1.00 0.00 C ATOM 126 CG GLN A 10 14.108 -0.029 -0.390 1.00 0.00 C ATOM 127 CD GLN A 10 14.507 -0.857 -1.575 1.00 0.00 C ATOM 128 OE1 GLN A 10 14.317 -2.076 -1.605 1.00 0.00 O ATOM 129 NE2 GLN A 10 15.020 -0.206 -2.567 1.00 0.00 N ATOM 0 H GLN A 10 11.998 1.394 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 10 11.771 -1.427 -1.266 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.690 0.090 1.195 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.116 -1.545 0.730 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.910 0.991 -0.721 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.945 0.019 0.306 1.00 0.00 H new ATOM 0 HE21 GLN A 10 15.159 0.802 -2.498 1.00 0.00 H new ATOM 0 HE22 GLN A 10 15.286 -0.700 -3.419 1.00 0.00 H new ATOM 138 N ARG A 11 9.946 0.158 0.919 1.00 0.00 N ATOM 139 CA ARG A 11 8.784 0.067 1.802 1.00 0.00 C ATOM 140 C ARG A 11 7.576 -0.228 0.933 1.00 0.00 C ATOM 141 O ARG A 11 6.703 -1.004 1.299 1.00 0.00 O ATOM 142 CB ARG A 11 8.567 1.376 2.556 1.00 0.00 C ATOM 143 CG ARG A 11 9.844 2.044 3.070 1.00 0.00 C ATOM 144 CD ARG A 11 10.655 1.168 4.009 1.00 0.00 C ATOM 145 NE ARG A 11 9.963 0.885 5.272 1.00 0.00 N ATOM 146 CZ ARG A 11 10.450 0.112 6.257 1.00 0.00 C ATOM 147 NH1 ARG A 11 11.640 -0.486 6.121 1.00 0.00 N ATOM 148 NH2 ARG A 11 9.744 -0.056 7.373 1.00 0.00 N ATOM 0 H ARG A 11 10.312 1.103 0.801 1.00 0.00 H new ATOM 0 HA ARG A 11 8.940 -0.719 2.541 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.048 2.075 1.900 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.908 1.185 3.403 1.00 0.00 H new ATOM 0 HG2 ARG A 11 10.466 2.322 2.219 1.00 0.00 H new ATOM 0 HG3 ARG A 11 9.579 2.967 3.586 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.887 0.227 3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 11 11.605 1.657 4.224 1.00 0.00 H new ATOM 0 HE ARG A 11 9.045 1.306 5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 11 12.182 -0.356 5.266 1.00 0.00 H new ATOM 0 HH12 ARG A 11 12.005 -1.072 6.872 1.00 0.00 H new ATOM 0 HH21 ARG A 11 8.838 0.401 7.477 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.109 -0.642 8.124 1.00 0.00 H new ATOM 162 N LEU A 12 7.577 0.383 -0.243 1.00 0.00 N ATOM 163 CA LEU A 12 6.606 0.131 -1.271 1.00 0.00 C ATOM 164 C LEU A 12 6.713 -1.300 -1.724 1.00 0.00 C ATOM 165 O LEU A 12 5.718 -1.959 -1.966 1.00 0.00 O ATOM 166 CB LEU A 12 6.876 1.063 -2.442 1.00 0.00 C ATOM 167 CG LEU A 12 6.426 2.521 -2.280 1.00 0.00 C ATOM 168 CD1 LEU A 12 6.781 3.336 -3.507 1.00 0.00 C ATOM 169 CD2 LEU A 12 4.929 2.599 -2.016 1.00 0.00 C ATOM 0 H LEU A 12 8.273 1.081 -0.504 1.00 0.00 H new ATOM 0 HA LEU A 12 5.602 0.308 -0.885 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.948 1.058 -2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.386 0.652 -3.324 1.00 0.00 H new ATOM 0 HG LEU A 12 6.953 2.938 -1.422 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.452 4.366 -3.368 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.861 3.317 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.286 2.912 -4.381 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.633 3.642 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.388 2.156 -2.852 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.692 2.055 -1.102 1.00 0.00 H new ATOM 181 N ALA A 13 7.934 -1.791 -1.777 1.00 0.00 N ATOM 182 CA ALA A 13 8.197 -3.134 -2.179 1.00 0.00 C ATOM 183 C ALA A 13 7.619 -4.095 -1.159 1.00 0.00 C ATOM 184 O ALA A 13 7.038 -5.099 -1.513 1.00 0.00 O ATOM 185 CB ALA A 13 9.687 -3.373 -2.368 1.00 0.00 C ATOM 0 H ALA A 13 8.769 -1.256 -1.538 1.00 0.00 H new ATOM 0 HA ALA A 13 7.717 -3.308 -3.142 1.00 0.00 H new ATOM 0 HB1 ALA A 13 9.854 -4.406 -2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.069 -2.701 -3.136 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.208 -3.184 -1.429 1.00 0.00 H new ATOM 191 N ASN A 14 7.702 -3.731 0.111 1.00 0.00 N ATOM 192 CA ASN A 14 7.174 -4.581 1.185 1.00 0.00 C ATOM 193 C ASN A 14 5.674 -4.466 1.284 1.00 0.00 C ATOM 194 O ASN A 14 5.013 -5.262 1.951 1.00 0.00 O ATOM 195 CB ASN A 14 7.769 -4.288 2.561 1.00 0.00 C ATOM 196 CG ASN A 14 9.221 -4.676 2.751 1.00 0.00 C ATOM 197 OD1 ASN A 14 9.615 -5.084 3.841 1.00 0.00 O ATOM 198 ND2 ASN A 14 10.026 -4.523 1.748 1.00 0.00 N ATOM 0 H ASN A 14 8.126 -2.860 0.430 1.00 0.00 H new ATOM 0 HA ASN A 14 7.467 -5.593 0.905 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.670 -3.221 2.758 1.00 0.00 H new ATOM 0 HB3 ASN A 14 7.173 -4.808 3.311 1.00 0.00 H new ATOM 0 HD21 ASN A 14 11.017 -4.743 1.851 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.669 -4.182 0.855 1.00 0.00 H new ATOM 205 N PHE A 15 5.128 -3.532 0.567 1.00 0.00 N ATOM 206 CA PHE A 15 3.745 -3.281 0.591 1.00 0.00 C ATOM 207 C PHE A 15 3.100 -4.225 -0.380 1.00 0.00 C ATOM 208 O PHE A 15 1.961 -4.586 -0.243 1.00 0.00 O ATOM 209 CB PHE A 15 3.518 -1.782 0.247 1.00 0.00 C ATOM 210 CG PHE A 15 2.336 -1.463 -0.628 1.00 0.00 C ATOM 211 CD1 PHE A 15 1.085 -1.220 -0.093 1.00 0.00 C ATOM 212 CD2 PHE A 15 2.497 -1.404 -2.002 1.00 0.00 C ATOM 213 CE1 PHE A 15 0.017 -0.928 -0.917 1.00 0.00 C ATOM 214 CE2 PHE A 15 1.446 -1.118 -2.828 1.00 0.00 C ATOM 215 CZ PHE A 15 0.197 -0.879 -2.289 1.00 0.00 C ATOM 0 H PHE A 15 5.652 -2.920 -0.058 1.00 0.00 H new ATOM 0 HA PHE A 15 3.295 -3.454 1.569 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.409 -1.231 1.181 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.416 -1.405 -0.243 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.942 -1.259 0.977 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.472 -1.587 -2.429 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.958 -0.738 -0.492 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.592 -1.079 -3.897 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.638 -0.654 -2.936 1.00 0.00 H new ATOM 225 N LEU A 16 3.878 -4.692 -1.317 1.00 0.00 N ATOM 226 CA LEU A 16 3.362 -5.504 -2.322 1.00 0.00 C ATOM 227 C LEU A 16 4.248 -6.740 -2.552 1.00 0.00 C ATOM 228 O LEU A 16 4.200 -7.385 -3.588 1.00 0.00 O ATOM 229 CB LEU A 16 3.200 -4.617 -3.540 1.00 0.00 C ATOM 230 CG LEU A 16 4.221 -4.643 -4.700 1.00 0.00 C ATOM 231 CD1 LEU A 16 3.686 -3.822 -5.857 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.546 -4.069 -4.270 1.00 0.00 C ATOM 0 H LEU A 16 4.879 -4.507 -1.384 1.00 0.00 H new ATOM 0 HA LEU A 16 2.393 -5.926 -2.056 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.225 -4.846 -3.971 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.156 -3.589 -3.180 1.00 0.00 H new ATOM 0 HG LEU A 16 4.369 -5.680 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.404 -3.838 -6.677 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.739 -4.243 -6.195 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.530 -2.793 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.245 -4.100 -5.106 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.408 -3.036 -3.950 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.945 -4.655 -3.442 1.00 0.00 H new ATOM 244 N VAL A 17 4.990 -7.104 -1.530 1.00 0.00 N ATOM 245 CA VAL A 17 5.940 -8.195 -1.627 1.00 0.00 C ATOM 246 C VAL A 17 5.237 -9.520 -1.404 1.00 0.00 C ATOM 247 O VAL A 17 5.385 -10.462 -2.175 1.00 0.00 O ATOM 248 CB VAL A 17 7.157 -7.988 -0.647 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.737 -7.888 0.801 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.205 -9.052 -0.806 1.00 0.00 C ATOM 0 H VAL A 17 4.954 -6.657 -0.614 1.00 0.00 H new ATOM 0 HA VAL A 17 6.358 -8.207 -2.634 1.00 0.00 H new ATOM 0 HB VAL A 17 7.593 -7.031 -0.932 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.618 -7.746 1.427 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.063 -7.041 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.226 -8.805 1.096 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.022 -8.865 -0.109 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.767 -10.028 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.588 -9.036 -1.827 1.00 0.00 H new ATOM 260 N HIS A 18 4.447 -9.550 -0.374 1.00 0.00 N ATOM 261 CA HIS A 18 3.673 -10.675 0.000 1.00 0.00 C ATOM 262 C HIS A 18 2.539 -10.179 0.866 1.00 0.00 C ATOM 263 O HIS A 18 2.020 -10.875 1.721 1.00 0.00 O ATOM 264 CB HIS A 18 4.534 -11.710 0.740 1.00 0.00 C ATOM 265 CG HIS A 18 5.237 -11.303 2.025 1.00 0.00 C ATOM 266 ND1 HIS A 18 6.024 -12.172 2.740 1.00 0.00 N ATOM 267 CD2 HIS A 18 5.277 -10.136 2.700 1.00 0.00 C ATOM 268 CE1 HIS A 18 6.520 -11.550 3.793 1.00 0.00 C ATOM 269 NE2 HIS A 18 6.075 -10.315 3.784 1.00 0.00 N ATOM 0 H HIS A 18 4.325 -8.752 0.250 1.00 0.00 H new ATOM 0 HA HIS A 18 3.275 -11.176 -0.882 1.00 0.00 H new ATOM 0 HB2 HIS A 18 3.896 -12.564 0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 18 5.297 -12.060 0.045 1.00 0.00 H new ATOM 0 HD2 HIS A 18 4.767 -9.224 2.428 1.00 0.00 H new ATOM 0 HE1 HIS A 18 7.177 -11.982 4.533 1.00 0.00 H new ATOM 0 HE2 HIS A 18 6.294 -9.603 4.481 1.00 0.00 H new ATOM 278 N SER A 19 2.162 -8.966 0.597 1.00 0.00 N ATOM 279 CA SER A 19 1.157 -8.268 1.351 1.00 0.00 C ATOM 280 C SER A 19 -0.096 -8.161 0.554 1.00 0.00 C ATOM 281 O SER A 19 -1.132 -7.830 1.081 1.00 0.00 O ATOM 282 CB SER A 19 1.707 -6.902 1.701 1.00 0.00 C ATOM 283 OG SER A 19 2.943 -7.036 2.423 1.00 0.00 O ATOM 0 H SER A 19 2.552 -8.418 -0.170 1.00 0.00 H new ATOM 0 HA SER A 19 0.913 -8.808 2.266 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.869 -6.323 0.792 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.983 -6.353 2.303 1.00 0.00 H new ATOM 0 HG SER A 19 3.566 -6.335 2.138 1.00 0.00 H new ATOM 289 N SER A 20 -0.002 -8.657 -0.638 1.00 0.00 N ATOM 290 CA SER A 20 -0.947 -8.508 -1.726 1.00 0.00 C ATOM 291 C SER A 20 -2.301 -9.197 -1.478 1.00 0.00 C ATOM 292 O SER A 20 -3.226 -9.093 -2.297 1.00 0.00 O ATOM 293 CB SER A 20 -0.284 -9.056 -2.966 1.00 0.00 C ATOM 294 OG SER A 20 1.049 -8.544 -3.065 1.00 0.00 O ATOM 0 H SER A 20 0.800 -9.226 -0.910 1.00 0.00 H new ATOM 0 HA SER A 20 -1.192 -7.451 -1.831 1.00 0.00 H new ATOM 0 HB2 SER A 20 -0.264 -10.145 -2.929 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.858 -8.778 -3.850 1.00 0.00 H new ATOM 0 HG SER A 20 1.478 -8.902 -3.870 1.00 0.00 H new ATOM 300 N ASN A 21 -2.418 -9.861 -0.373 1.00 0.00 N ATOM 301 CA ASN A 21 -3.631 -10.527 -0.004 1.00 0.00 C ATOM 302 C ASN A 21 -4.231 -9.921 1.250 1.00 0.00 C ATOM 303 O ASN A 21 -5.338 -10.275 1.638 1.00 0.00 O ATOM 304 CB ASN A 21 -3.351 -12.007 0.245 1.00 0.00 C ATOM 305 CG ASN A 21 -3.125 -12.813 -1.012 1.00 0.00 C ATOM 306 OD1 ASN A 21 -3.686 -12.526 -2.062 1.00 0.00 O ATOM 307 ND2 ASN A 21 -2.292 -13.806 -0.922 1.00 0.00 N ATOM 0 H ASN A 21 -1.666 -9.959 0.309 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.341 -10.410 -0.823 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.472 -12.097 0.884 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -4.189 -12.437 0.793 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.087 -14.376 -1.743 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.843 -14.016 -0.030 1.00 0.00 H new ATOM 314 N ASN A 22 -3.526 -9.008 1.898 1.00 0.00 N ATOM 315 CA ASN A 22 -3.964 -8.507 3.182 1.00 0.00 C ATOM 316 C ASN A 22 -3.934 -7.040 3.321 1.00 0.00 C ATOM 317 O ASN A 22 -4.814 -6.466 3.966 1.00 0.00 O ATOM 318 CB ASN A 22 -3.135 -9.086 4.272 1.00 0.00 C ATOM 319 CG ASN A 22 -3.822 -10.223 4.971 1.00 0.00 C ATOM 320 OD1 ASN A 22 -3.609 -10.471 6.146 1.00 0.00 O ATOM 321 ND2 ASN A 22 -4.662 -10.918 4.260 1.00 0.00 N ATOM 0 H ASN A 22 -2.654 -8.604 1.556 1.00 0.00 H new ATOM 0 HA ASN A 22 -5.007 -8.814 3.254 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.189 -9.436 3.859 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.898 -8.307 4.997 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.166 -11.697 4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.816 -10.683 3.279 1.00 0.00 H new ATOM 328 N PHE A 23 -2.942 -6.463 2.730 1.00 0.00 N ATOM 329 CA PHE A 23 -2.593 -5.045 2.774 1.00 0.00 C ATOM 330 C PHE A 23 -3.770 -4.090 2.496 1.00 0.00 C ATOM 331 O PHE A 23 -4.015 -3.618 1.377 1.00 0.00 O ATOM 332 CB PHE A 23 -1.420 -4.819 1.844 1.00 0.00 C ATOM 333 CG PHE A 23 -1.689 -4.961 0.367 1.00 0.00 C ATOM 334 CD1 PHE A 23 -0.941 -4.277 -0.528 1.00 0.00 C ATOM 335 CD2 PHE A 23 -2.671 -5.804 -0.095 1.00 0.00 C ATOM 336 CE1 PHE A 23 -1.148 -4.413 -1.862 1.00 0.00 C ATOM 337 CE2 PHE A 23 -2.896 -5.953 -1.416 1.00 0.00 C ATOM 338 CZ PHE A 23 -2.132 -5.258 -2.323 1.00 0.00 C ATOM 0 H PHE A 23 -2.291 -6.995 2.153 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.310 -4.795 3.797 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.031 -3.817 2.024 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.631 -5.520 2.115 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.167 -3.612 -0.175 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -3.273 -6.356 0.612 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.541 -3.858 -2.562 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -3.675 -6.617 -1.761 1.00 0.00 H new ATOM 0 HZ PHE A 23 -2.302 -5.373 -3.383 1.00 0.00 H new ATOM 348 N GLY A 24 -4.493 -3.843 3.520 1.00 0.00 N ATOM 349 CA GLY A 24 -5.718 -3.098 3.404 1.00 0.00 C ATOM 350 C GLY A 24 -6.699 -3.818 2.520 1.00 0.00 C ATOM 351 O GLY A 24 -7.412 -3.227 1.745 1.00 0.00 O ATOM 0 H GLY A 24 -4.267 -4.144 4.468 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.153 -2.949 4.392 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.510 -2.109 2.995 1.00 0.00 H new ATOM 355 N ALA A 25 -6.695 -5.110 2.637 1.00 0.00 N ATOM 356 CA ALA A 25 -7.596 -5.957 1.935 1.00 0.00 C ATOM 357 C ALA A 25 -8.590 -6.388 2.932 1.00 0.00 C ATOM 358 O ALA A 25 -9.799 -6.285 2.739 1.00 0.00 O ATOM 359 CB ALA A 25 -6.857 -7.143 1.353 1.00 0.00 C ATOM 0 H ALA A 25 -6.045 -5.614 3.241 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.071 -5.446 1.098 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.559 -7.783 0.818 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.090 -6.791 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.389 -7.711 2.157 1.00 0.00 H new ATOM 365 N ILE A 26 -8.049 -6.802 4.028 1.00 0.00 N ATOM 366 CA ILE A 26 -8.778 -7.140 5.177 1.00 0.00 C ATOM 367 C ILE A 26 -8.828 -5.917 6.097 1.00 0.00 C ATOM 368 O ILE A 26 -9.845 -5.622 6.694 1.00 0.00 O ATOM 369 CB ILE A 26 -8.161 -8.371 5.887 1.00 0.00 C ATOM 370 CG1 ILE A 26 -8.762 -8.540 7.264 1.00 0.00 C ATOM 371 CG2 ILE A 26 -6.641 -8.245 5.962 1.00 0.00 C ATOM 372 CD1 ILE A 26 -8.346 -9.805 7.980 1.00 0.00 C ATOM 0 H ILE A 26 -7.041 -6.915 4.140 1.00 0.00 H new ATOM 0 HA ILE A 26 -9.794 -7.421 4.902 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.393 -9.262 5.303 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.482 -7.683 7.876 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.848 -8.528 7.176 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.228 -9.120 6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.231 -8.178 4.954 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -6.377 -7.347 6.521 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.824 -9.843 8.959 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.650 -10.672 7.394 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.263 -9.813 8.104 1.00 0.00 H new ATOM 384 N LEU A 27 -7.725 -5.171 6.119 1.00 0.00 N ATOM 385 CA LEU A 27 -7.590 -3.939 6.900 1.00 0.00 C ATOM 386 C LEU A 27 -8.575 -2.882 6.414 1.00 0.00 C ATOM 387 O LEU A 27 -9.164 -2.150 7.193 1.00 0.00 O ATOM 388 CB LEU A 27 -6.129 -3.479 6.782 1.00 0.00 C ATOM 389 CG LEU A 27 -5.789 -1.976 6.686 1.00 0.00 C ATOM 390 CD1 LEU A 27 -6.146 -1.227 7.918 1.00 0.00 C ATOM 391 CD2 LEU A 27 -4.322 -1.787 6.381 1.00 0.00 C ATOM 0 H LEU A 27 -6.887 -5.407 5.588 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.830 -4.111 7.949 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.595 -3.876 7.646 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.709 -3.961 5.899 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.391 -1.570 5.873 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -5.885 -0.176 7.794 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.217 -1.315 8.100 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.599 -1.639 8.766 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.098 -0.722 6.316 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.725 -2.236 7.174 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.083 -2.266 5.432 1.00 0.00 H new ATOM 403 N SER A 28 -8.753 -2.831 5.135 1.00 0.00 N ATOM 404 CA SER A 28 -9.694 -1.891 4.559 1.00 0.00 C ATOM 405 C SER A 28 -11.044 -2.592 4.340 1.00 0.00 C ATOM 406 O SER A 28 -12.022 -1.984 3.924 1.00 0.00 O ATOM 407 CB SER A 28 -9.145 -1.304 3.247 1.00 0.00 C ATOM 408 OG SER A 28 -9.997 -0.326 2.689 1.00 0.00 O ATOM 0 H SER A 28 -8.267 -3.422 4.460 1.00 0.00 H new ATOM 0 HA SER A 28 -9.841 -1.059 5.247 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.165 -0.863 3.433 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.001 -2.109 2.526 1.00 0.00 H new ATOM 0 HG SER A 28 -10.906 -0.449 3.033 1.00 0.00 H new ATOM 414 N SER A 29 -11.058 -3.892 4.632 1.00 0.00 N ATOM 415 CA SER A 29 -12.225 -4.779 4.518 1.00 0.00 C ATOM 416 C SER A 29 -12.783 -4.864 3.069 1.00 0.00 C ATOM 417 O SER A 29 -13.865 -5.421 2.840 1.00 0.00 O ATOM 418 CB SER A 29 -13.313 -4.321 5.471 1.00 0.00 C ATOM 419 OG SER A 29 -12.767 -3.929 6.733 1.00 0.00 O ATOM 0 H SER A 29 -10.227 -4.379 4.968 1.00 0.00 H new ATOM 0 HA SER A 29 -11.892 -5.782 4.785 1.00 0.00 H new ATOM 0 HB2 SER A 29 -13.856 -3.484 5.031 1.00 0.00 H new ATOM 0 HB3 SER A 29 -14.033 -5.126 5.618 1.00 0.00 H new ATOM 0 HG SER A 29 -13.491 -3.637 7.326 1.00 0.00 H new ATOM 425 N THR A 30 -12.011 -4.380 2.106 1.00 0.00 N ATOM 426 CA THR A 30 -12.411 -4.339 0.708 1.00 0.00 C ATOM 427 C THR A 30 -12.568 -5.754 0.129 1.00 0.00 C ATOM 428 O THR A 30 -13.396 -5.995 -0.749 1.00 0.00 O ATOM 429 CB THR A 30 -11.415 -3.465 -0.143 1.00 0.00 C ATOM 430 OG1 THR A 30 -11.815 -3.403 -1.514 1.00 0.00 O ATOM 431 CG2 THR A 30 -9.994 -3.989 -0.054 1.00 0.00 C ATOM 0 H THR A 30 -11.079 -4.001 2.276 1.00 0.00 H new ATOM 0 HA THR A 30 -13.389 -3.861 0.655 1.00 0.00 H new ATOM 0 HB THR A 30 -11.444 -2.460 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 30 -11.178 -2.853 -2.016 1.00 0.00 H new ATOM 0 HG21 THR A 30 -9.336 -3.360 -0.654 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.664 -3.972 0.985 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.959 -5.012 -0.429 1.00 0.00 H new ATOM 439 N ASN A 31 -11.833 -6.706 0.673 1.00 0.00 N ATOM 440 CA ASN A 31 -11.922 -8.079 0.166 1.00 0.00 C ATOM 441 C ASN A 31 -12.816 -8.925 1.018 1.00 0.00 C ATOM 442 O ASN A 31 -13.019 -10.105 0.753 1.00 0.00 O ATOM 443 CB ASN A 31 -10.552 -8.743 -0.055 1.00 0.00 C ATOM 444 CG ASN A 31 -9.870 -8.281 -1.338 1.00 0.00 C ATOM 445 OD1 ASN A 31 -10.090 -8.848 -2.400 1.00 0.00 O ATOM 446 ND2 ASN A 31 -9.042 -7.270 -1.255 1.00 0.00 N ATOM 0 H ASN A 31 -11.182 -6.569 1.446 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.376 -8.002 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -9.905 -8.522 0.794 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.679 -9.825 -0.086 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.560 -6.935 -2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.879 -6.817 -0.356 1.00 0.00 H new ATOM 453 N VAL A 32 -13.376 -8.306 2.026 1.00 0.00 N ATOM 454 CA VAL A 32 -14.307 -8.973 2.903 1.00 0.00 C ATOM 455 C VAL A 32 -15.724 -8.563 2.464 1.00 0.00 C ATOM 456 O VAL A 32 -16.728 -9.147 2.871 1.00 0.00 O ATOM 457 CB VAL A 32 -14.065 -8.555 4.391 1.00 0.00 C ATOM 458 CG1 VAL A 32 -14.869 -9.419 5.352 1.00 0.00 C ATOM 459 CG2 VAL A 32 -12.581 -8.603 4.743 1.00 0.00 C ATOM 0 H VAL A 32 -13.201 -7.329 2.262 1.00 0.00 H new ATOM 0 HA VAL A 32 -14.176 -10.053 2.840 1.00 0.00 H new ATOM 0 HB VAL A 32 -14.409 -7.526 4.497 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -14.676 -9.100 6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -15.932 -9.314 5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -14.576 -10.462 5.235 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.444 -8.307 5.783 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.206 -9.617 4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.031 -7.919 4.096 1.00 0.00 H new ATOM 469 N GLY A 33 -15.777 -7.539 1.605 1.00 0.00 N ATOM 470 CA GLY A 33 -17.035 -7.015 1.106 1.00 0.00 C ATOM 471 C GLY A 33 -17.578 -5.933 2.013 1.00 0.00 C ATOM 472 O GLY A 33 -18.517 -5.209 1.673 1.00 0.00 O ATOM 0 H GLY A 33 -14.952 -7.060 1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.892 -6.614 0.103 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -17.762 -7.823 1.025 1.00 0.00 H new ATOM 476 N SER A 34 -16.920 -5.760 3.123 1.00 0.00 N ATOM 477 CA SER A 34 -17.383 -4.891 4.180 1.00 0.00 C ATOM 478 C SER A 34 -16.951 -3.447 3.989 1.00 0.00 C ATOM 479 O SER A 34 -17.170 -2.592 4.859 1.00 0.00 O ATOM 480 CB SER A 34 -16.868 -5.421 5.476 1.00 0.00 C ATOM 481 OG SER A 34 -17.113 -6.809 5.551 1.00 0.00 O ATOM 0 H SER A 34 -16.034 -6.222 3.327 1.00 0.00 H new ATOM 0 HA SER A 34 -18.473 -4.884 4.167 1.00 0.00 H new ATOM 0 HB2 SER A 34 -15.799 -5.225 5.562 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.353 -4.910 6.308 1.00 0.00 H new ATOM 0 HG SER A 34 -16.773 -7.156 6.402 1.00 0.00 H new ATOM 487 N ASN A 35 -16.377 -3.165 2.860 1.00 0.00 N ATOM 488 CA ASN A 35 -15.962 -1.808 2.564 1.00 0.00 C ATOM 489 C ASN A 35 -17.098 -1.181 1.821 1.00 0.00 C ATOM 490 O ASN A 35 -17.329 0.021 1.871 1.00 0.00 O ATOM 491 CB ASN A 35 -14.676 -1.792 1.723 1.00 0.00 C ATOM 492 CG ASN A 35 -14.119 -0.393 1.500 1.00 0.00 C ATOM 493 OD1 ASN A 35 -14.454 0.285 0.522 1.00 0.00 O ATOM 494 ND2 ASN A 35 -13.250 0.034 2.376 1.00 0.00 N ATOM 0 H ASN A 35 -16.181 -3.845 2.125 1.00 0.00 H new ATOM 0 HA ASN A 35 -15.735 -1.258 3.477 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -13.920 -2.402 2.217 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.877 -2.254 0.756 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -12.824 0.954 2.265 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -12.997 -0.553 3.171 1.00 0.00 H new ATOM 501 N THR A 36 -17.833 -2.047 1.163 1.00 0.00 N ATOM 502 CA THR A 36 -18.991 -1.682 0.435 1.00 0.00 C ATOM 503 C THR A 36 -20.228 -1.862 1.310 1.00 0.00 C ATOM 504 O THR A 36 -21.147 -1.052 1.316 1.00 0.00 O ATOM 505 CB THR A 36 -19.092 -2.558 -0.820 1.00 0.00 C ATOM 506 OG1 THR A 36 -17.831 -2.557 -1.509 1.00 0.00 O ATOM 507 CG2 THR A 36 -20.151 -2.042 -1.744 1.00 0.00 C ATOM 0 H THR A 36 -17.624 -3.045 1.128 1.00 0.00 H new ATOM 0 HA THR A 36 -18.926 -0.635 0.137 1.00 0.00 H new ATOM 0 HB THR A 36 -19.353 -3.571 -0.512 1.00 0.00 H new ATOM 0 HG1 THR A 36 -17.895 -3.118 -2.310 1.00 0.00 H new ATOM 0 HG21 THR A 36 -20.205 -2.679 -2.627 1.00 0.00 H new ATOM 0 HG22 THR A 36 -21.114 -2.048 -1.233 1.00 0.00 H new ATOM 0 HG23 THR A 36 -19.906 -1.023 -2.045 1.00 0.00 H new HETATM 515 N TYC A 37 -20.206 -2.908 2.040 1.00 0.00 N HETATM 516 CA TYC A 37 -21.305 -3.297 2.917 1.00 0.00 C HETATM 517 C TYC A 37 -20.868 -3.260 4.370 1.00 0.00 C HETATM 518 O TYC A 37 -20.333 -4.241 4.898 1.00 0.00 O HETATM 519 CB TYC A 37 -21.814 -4.706 2.566 1.00 0.00 C HETATM 520 CG TYC A 37 -22.342 -4.851 1.157 1.00 0.00 C HETATM 521 CD1 TYC A 37 -23.677 -4.620 0.866 1.00 0.00 C HETATM 522 CD2 TYC A 37 -21.503 -5.220 0.119 1.00 0.00 C HETATM 523 CE1 TYC A 37 -24.159 -4.755 -0.419 1.00 0.00 C HETATM 524 CE2 TYC A 37 -21.974 -5.355 -1.165 1.00 0.00 C HETATM 525 OH TYC A 37 -23.764 -5.258 -2.712 1.00 0.00 O HETATM 526 CZ TYC A 37 -23.300 -5.122 -1.429 1.00 0.00 C HETATM 527 NXT TYC A 37 -21.064 -2.146 5.011 1.00 0.00 N HETATM 0 HT22 TYC A 37 -20.789 -2.066 5.990 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -21.493 -1.352 4.535 1.00 0.00 H new HETATM 0 HH TYC A 37 -23.026 -5.521 -3.301 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -21.298 -5.646 -1.969 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -25.212 -4.572 -0.633 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -20.449 -5.407 0.324 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -24.357 -4.327 1.666 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -21.002 -5.418 2.711 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -22.604 -4.977 3.266 1.00 0.00 H new HETATM 0 HA TYC A 37 -22.116 -2.584 2.771 1.00 0.00 H new TER 539 TYC A 37