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 30 THR OG1 : rot 35:sc= 0.728 USER MOD Set 1.2: A 35 ASN : amide:sc= -0.781 X(o=-0.054,f=-0.1) USER MOD Set 2.1: A 9 THR OG1 : rot -154:sc= 1.33 USER MOD Set 2.2: A 10 GLN : amide:sc= -0.0958 K(o=1.2,f=0.48) USER MOD Single : A 1 LYS N :NH3+ -128:sc= 0.0176 (180deg=-0.114) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0415 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -1.51 K(o=-1.5,f=-0.00099) USER MOD Single : A 18 HIS : no HD1:sc= -1.42 K(o=-1.4,f=-0.43) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 20 SER OG : rot 180:sc= 0.0846 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.97! K(o=-0.97!,f=-0.17) USER MOD Single : A 28 SER OG : rot 180:sc= -0.0713 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.263 K(o=-0.26,f=-1.1) 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 11.136 5.791 9.455 1.00 0.00 N ATOM 2 CA LYS A 1 10.479 6.040 8.181 1.00 0.00 C ATOM 3 C LYS A 1 11.422 6.787 7.267 1.00 0.00 C ATOM 4 O LYS A 1 12.254 7.574 7.726 1.00 0.00 O ATOM 5 CB LYS A 1 9.173 6.827 8.362 1.00 0.00 C ATOM 6 CG LYS A 1 8.131 6.114 9.213 1.00 0.00 C ATOM 7 CD LYS A 1 6.846 6.918 9.344 1.00 0.00 C ATOM 8 CE LYS A 1 6.148 7.108 8.009 1.00 0.00 C ATOM 9 NZ LYS A 1 4.899 7.878 8.145 1.00 0.00 N ATOM 0 H1 LYS A 1 11.067 4.780 9.689 1.00 0.00 H new ATOM 0 H2 LYS A 1 12.137 6.064 9.388 1.00 0.00 H new ATOM 0 H3 LYS A 1 10.674 6.351 10.199 1.00 0.00 H new ATOM 0 HA LYS A 1 10.220 5.080 7.735 1.00 0.00 H new ATOM 0 HB2 LYS A 1 9.402 7.790 8.818 1.00 0.00 H new ATOM 0 HB3 LYS A 1 8.746 7.033 7.380 1.00 0.00 H new ATOM 0 HG2 LYS A 1 7.906 5.143 8.771 1.00 0.00 H new ATOM 0 HG3 LYS A 1 8.542 5.925 10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 1 6.172 6.412 10.035 1.00 0.00 H new ATOM 0 HD3 LYS A 1 7.072 7.893 9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 1 6.818 7.622 7.319 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.928 6.134 7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 4.454 7.985 7.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 4.249 7.376 8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 5.111 8.818 8.537 1.00 0.00 H new ATOM 25 N CYS A 2 11.302 6.546 5.997 1.00 0.00 N ATOM 26 CA CYS A 2 12.157 7.154 5.024 1.00 0.00 C ATOM 27 C CYS A 2 11.345 7.698 3.861 1.00 0.00 C ATOM 28 O CYS A 2 10.197 7.287 3.651 1.00 0.00 O ATOM 29 CB CYS A 2 13.211 6.156 4.573 1.00 0.00 C ATOM 30 SG CYS A 2 12.567 4.505 4.156 1.00 0.00 S ATOM 0 H CYS A 2 10.602 5.917 5.604 1.00 0.00 H new ATOM 0 HA CYS A 2 12.672 8.003 5.473 1.00 0.00 H new ATOM 0 HB2 CYS A 2 13.726 6.561 3.702 1.00 0.00 H new ATOM 0 HB3 CYS A 2 13.955 6.052 5.363 1.00 0.00 H new ATOM 35 N ASN A 3 11.936 8.598 3.096 1.00 0.00 N ATOM 36 CA ASN A 3 11.196 9.319 2.055 1.00 0.00 C ATOM 37 C ASN A 3 11.998 9.420 0.761 1.00 0.00 C ATOM 38 O ASN A 3 11.617 10.136 -0.158 1.00 0.00 O ATOM 39 CB ASN A 3 10.856 10.741 2.560 1.00 0.00 C ATOM 40 CG ASN A 3 12.089 11.635 2.732 1.00 0.00 C ATOM 41 OD1 ASN A 3 12.751 11.623 3.781 1.00 0.00 O ATOM 42 ND2 ASN A 3 12.389 12.424 1.732 1.00 0.00 N ATOM 0 H ASN A 3 12.921 8.852 3.169 1.00 0.00 H new ATOM 0 HA ASN A 3 10.283 8.763 1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 3 10.169 11.213 1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 3 10.335 10.665 3.514 1.00 0.00 H new ATOM 0 HD21 ASN A 3 13.188 13.054 1.801 1.00 0.00 H new ATOM 0 HD22 ASN A 3 11.824 12.409 0.883 1.00 0.00 H new ATOM 49 N THR A 4 13.070 8.679 0.668 1.00 0.00 N ATOM 50 CA THR A 4 13.916 8.771 -0.498 1.00 0.00 C ATOM 51 C THR A 4 13.612 7.628 -1.454 1.00 0.00 C ATOM 52 O THR A 4 13.104 6.578 -1.039 1.00 0.00 O ATOM 53 CB THR A 4 15.440 8.776 -0.117 1.00 0.00 C ATOM 54 OG1 THR A 4 16.265 8.862 -1.291 1.00 0.00 O ATOM 55 CG2 THR A 4 15.826 7.530 0.661 1.00 0.00 C ATOM 0 H THR A 4 13.378 8.012 1.375 1.00 0.00 H new ATOM 0 HA THR A 4 13.701 9.719 -0.990 1.00 0.00 H new ATOM 0 HB THR A 4 15.603 9.652 0.511 1.00 0.00 H new ATOM 0 HG1 THR A 4 17.209 8.865 -1.028 1.00 0.00 H new ATOM 0 HG21 THR A 4 16.887 7.569 0.907 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.242 7.479 1.580 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.626 6.646 0.055 1.00 0.00 H new ATOM 63 N ALA A 5 13.971 7.824 -2.704 1.00 0.00 N ATOM 64 CA ALA A 5 13.746 6.877 -3.797 1.00 0.00 C ATOM 65 C ALA A 5 14.501 5.584 -3.559 1.00 0.00 C ATOM 66 O ALA A 5 14.218 4.568 -4.161 1.00 0.00 O ATOM 67 CB ALA A 5 14.167 7.490 -5.121 1.00 0.00 C ATOM 0 H ALA A 5 14.445 8.675 -3.008 1.00 0.00 H new ATOM 0 HA ALA A 5 12.681 6.650 -3.834 1.00 0.00 H new ATOM 0 HB1 ALA A 5 13.994 6.774 -5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 5 13.584 8.392 -5.306 1.00 0.00 H new ATOM 0 HB3 ALA A 5 15.226 7.745 -5.084 1.00 0.00 H new ATOM 73 N THR A 6 15.479 5.647 -2.705 1.00 0.00 N ATOM 74 CA THR A 6 16.243 4.493 -2.341 1.00 0.00 C ATOM 75 C THR A 6 15.498 3.650 -1.273 1.00 0.00 C ATOM 76 O THR A 6 15.734 2.456 -1.137 1.00 0.00 O ATOM 77 CB THR A 6 17.611 4.960 -1.776 1.00 0.00 C ATOM 78 OG1 THR A 6 18.269 5.790 -2.747 1.00 0.00 O ATOM 79 CG2 THR A 6 18.507 3.785 -1.428 1.00 0.00 C ATOM 0 H THR A 6 15.770 6.506 -2.239 1.00 0.00 H new ATOM 0 HA THR A 6 16.390 3.870 -3.223 1.00 0.00 H new ATOM 0 HB THR A 6 17.423 5.521 -0.861 1.00 0.00 H new ATOM 0 HG1 THR A 6 19.132 6.088 -2.392 1.00 0.00 H new ATOM 0 HG21 THR A 6 19.455 4.154 -1.036 1.00 0.00 H new ATOM 0 HG22 THR A 6 18.019 3.166 -0.675 1.00 0.00 H new ATOM 0 HG23 THR A 6 18.691 3.190 -2.323 1.00 0.00 H new ATOM 87 N CYS A 7 14.538 4.248 -0.591 1.00 0.00 N ATOM 88 CA CYS A 7 13.995 3.615 0.601 1.00 0.00 C ATOM 89 C CYS A 7 12.493 3.512 0.596 1.00 0.00 C ATOM 90 O CYS A 7 11.935 2.476 0.942 1.00 0.00 O ATOM 91 CB CYS A 7 14.384 4.431 1.767 1.00 0.00 C ATOM 92 SG CYS A 7 14.187 3.591 3.371 1.00 0.00 S ATOM 0 H CYS A 7 14.125 5.149 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 7 14.393 2.601 0.637 1.00 0.00 H new ATOM 0 HB2 CYS A 7 15.425 4.732 1.654 1.00 0.00 H new ATOM 0 HB3 CYS A 7 13.787 5.343 1.772 1.00 0.00 H new ATOM 97 N ALA A 8 11.826 4.579 0.204 1.00 0.00 N ATOM 98 CA ALA A 8 10.384 4.608 0.209 1.00 0.00 C ATOM 99 C ALA A 8 9.868 3.611 -0.799 1.00 0.00 C ATOM 100 O ALA A 8 8.776 3.060 -0.662 1.00 0.00 O ATOM 101 CB ALA A 8 9.904 5.996 -0.105 1.00 0.00 C ATOM 0 H ALA A 8 12.266 5.439 -0.123 1.00 0.00 H new ATOM 0 HA ALA A 8 10.006 4.336 1.194 1.00 0.00 H new ATOM 0 HB1 ALA A 8 8.814 6.014 -0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 8 10.282 6.690 0.646 1.00 0.00 H new ATOM 0 HB3 ALA A 8 10.267 6.293 -1.089 1.00 0.00 H new ATOM 107 N THR A 9 10.703 3.351 -1.776 1.00 0.00 N ATOM 108 CA THR A 9 10.437 2.372 -2.815 1.00 0.00 C ATOM 109 C THR A 9 10.446 0.959 -2.237 1.00 0.00 C ATOM 110 O THR A 9 9.760 0.068 -2.693 1.00 0.00 O ATOM 111 CB THR A 9 11.483 2.493 -3.895 1.00 0.00 C ATOM 112 OG1 THR A 9 12.762 2.613 -3.249 1.00 0.00 O ATOM 113 CG2 THR A 9 11.219 3.713 -4.763 1.00 0.00 C ATOM 0 H THR A 9 11.603 3.819 -1.878 1.00 0.00 H new ATOM 0 HA THR A 9 9.451 2.563 -3.238 1.00 0.00 H new ATOM 0 HB THR A 9 11.459 1.616 -4.542 1.00 0.00 H new ATOM 0 HG1 THR A 9 13.385 3.084 -3.841 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.985 3.782 -5.536 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.239 3.622 -5.231 1.00 0.00 H new ATOM 0 HG23 THR A 9 11.244 4.611 -4.146 1.00 0.00 H new ATOM 121 N GLN A 10 11.250 0.785 -1.229 1.00 0.00 N ATOM 122 CA GLN A 10 11.405 -0.480 -0.545 1.00 0.00 C ATOM 123 C GLN A 10 10.207 -0.710 0.323 1.00 0.00 C ATOM 124 O GLN A 10 9.779 -1.827 0.528 1.00 0.00 O ATOM 125 CB GLN A 10 12.690 -0.533 0.277 1.00 0.00 C ATOM 126 CG GLN A 10 13.916 -0.085 -0.491 1.00 0.00 C ATOM 127 CD GLN A 10 14.090 -0.772 -1.836 1.00 0.00 C ATOM 128 OE1 GLN A 10 13.718 -1.938 -2.031 1.00 0.00 O ATOM 129 NE2 GLN A 10 14.574 -0.027 -2.782 1.00 0.00 N ATOM 0 H GLN A 10 11.832 1.530 -0.846 1.00 0.00 H new ATOM 0 HA GLN A 10 11.481 -1.272 -1.290 1.00 0.00 H new ATOM 0 HB2 GLN A 10 12.574 0.096 1.160 1.00 0.00 H new ATOM 0 HB3 GLN A 10 12.844 -1.553 0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 10 13.859 0.992 -0.650 1.00 0.00 H new ATOM 0 HG3 GLN A 10 14.801 -0.271 0.117 1.00 0.00 H new ATOM 0 HE21 GLN A 10 14.869 0.928 -2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 10 14.660 -0.397 -3.729 1.00 0.00 H new ATOM 138 N ARG A 11 9.646 0.375 0.816 1.00 0.00 N ATOM 139 CA ARG A 11 8.425 0.295 1.608 1.00 0.00 C ATOM 140 C ARG A 11 7.309 -0.109 0.683 1.00 0.00 C ATOM 141 O ARG A 11 6.435 -0.893 1.043 1.00 0.00 O ATOM 142 CB ARG A 11 8.087 1.620 2.280 1.00 0.00 C ATOM 143 CG ARG A 11 9.229 2.261 3.071 1.00 0.00 C ATOM 144 CD ARG A 11 9.862 1.299 4.068 1.00 0.00 C ATOM 145 NE ARG A 11 8.872 0.654 4.951 1.00 0.00 N ATOM 146 CZ ARG A 11 9.083 -0.469 5.669 1.00 0.00 C ATOM 147 NH1 ARG A 11 10.299 -1.009 5.740 1.00 0.00 N ATOM 148 NH2 ARG A 11 8.080 -1.032 6.333 1.00 0.00 N ATOM 0 H ARG A 11 10.009 1.319 0.686 1.00 0.00 H new ATOM 0 HA ARG A 11 8.565 -0.435 2.406 1.00 0.00 H new ATOM 0 HB2 ARG A 11 7.757 2.323 1.515 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.244 1.463 2.953 1.00 0.00 H new ATOM 0 HG2 ARG A 11 9.992 2.615 2.378 1.00 0.00 H new ATOM 0 HG3 ARG A 11 8.852 3.134 3.603 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.412 0.531 3.525 1.00 0.00 H new ATOM 0 HD3 ARG A 11 10.587 1.839 4.677 1.00 0.00 H new ATOM 0 HE ARG A 11 7.954 1.092 5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 11 11.080 -0.573 5.249 1.00 0.00 H new ATOM 0 HH12 ARG A 11 10.449 -1.858 6.285 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.149 -0.616 6.300 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.240 -1.881 6.875 1.00 0.00 H new ATOM 162 N LEU A 12 7.382 0.410 -0.528 1.00 0.00 N ATOM 163 CA LEU A 12 6.509 0.037 -1.597 1.00 0.00 C ATOM 164 C LEU A 12 6.715 -1.439 -1.921 1.00 0.00 C ATOM 165 O LEU A 12 5.767 -2.174 -2.143 1.00 0.00 O ATOM 166 CB LEU A 12 6.837 0.890 -2.813 1.00 0.00 C ATOM 167 CG LEU A 12 6.452 2.376 -2.768 1.00 0.00 C ATOM 168 CD1 LEU A 12 6.757 3.045 -4.098 1.00 0.00 C ATOM 169 CD2 LEU A 12 4.982 2.556 -2.410 1.00 0.00 C ATOM 0 H LEU A 12 8.069 1.117 -0.790 1.00 0.00 H new ATOM 0 HA LEU A 12 5.469 0.195 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.911 0.827 -2.987 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.347 0.443 -3.678 1.00 0.00 H new ATOM 0 HG LEU A 12 7.049 2.852 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.478 4.098 -4.048 1.00 0.00 H new ATOM 0 HD12 LEU A 12 7.823 2.962 -4.311 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.189 2.556 -4.890 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.741 3.619 -2.386 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.362 2.060 -3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 12 4.790 2.118 -1.430 1.00 0.00 H new ATOM 181 N ALA A 13 7.966 -1.870 -1.884 1.00 0.00 N ATOM 182 CA ALA A 13 8.321 -3.247 -2.134 1.00 0.00 C ATOM 183 C ALA A 13 7.731 -4.152 -1.065 1.00 0.00 C ATOM 184 O ALA A 13 7.317 -5.260 -1.344 1.00 0.00 O ATOM 185 CB ALA A 13 9.827 -3.427 -2.214 1.00 0.00 C ATOM 0 H ALA A 13 8.763 -1.267 -1.678 1.00 0.00 H new ATOM 0 HA ALA A 13 7.902 -3.528 -3.100 1.00 0.00 H new ATOM 0 HB1 ALA A 13 10.059 -4.475 -2.403 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.224 -2.816 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 13 10.281 -3.119 -1.272 1.00 0.00 H new ATOM 191 N ASN A 14 7.650 -3.641 0.156 1.00 0.00 N ATOM 192 CA ASN A 14 7.070 -4.394 1.276 1.00 0.00 C ATOM 193 C ASN A 14 5.562 -4.344 1.243 1.00 0.00 C ATOM 194 O ASN A 14 4.892 -5.063 1.972 1.00 0.00 O ATOM 195 CB ASN A 14 7.542 -3.905 2.657 1.00 0.00 C ATOM 196 CG ASN A 14 8.991 -4.224 3.008 1.00 0.00 C ATOM 197 OD1 ASN A 14 9.320 -4.477 4.171 1.00 0.00 O ATOM 198 ND2 ASN A 14 9.858 -4.168 2.053 1.00 0.00 N ATOM 0 H ASN A 14 7.977 -2.707 0.403 1.00 0.00 H new ATOM 0 HA ASN A 14 7.423 -5.417 1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.404 -2.825 2.707 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.897 -4.344 3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 14 10.845 -4.335 2.250 1.00 0.00 H new ATOM 0 HD22 ASN A 14 9.556 -3.957 1.102 1.00 0.00 H new ATOM 205 N PHE A 15 5.028 -3.532 0.370 1.00 0.00 N ATOM 206 CA PHE A 15 3.625 -3.336 0.279 1.00 0.00 C ATOM 207 C PHE A 15 3.064 -4.373 -0.656 1.00 0.00 C ATOM 208 O PHE A 15 1.871 -4.680 -0.636 1.00 0.00 O ATOM 209 CB PHE A 15 3.363 -1.885 -0.200 1.00 0.00 C ATOM 210 CG PHE A 15 2.240 -1.704 -1.175 1.00 0.00 C ATOM 211 CD1 PHE A 15 0.941 -1.500 -0.746 1.00 0.00 C ATOM 212 CD2 PHE A 15 2.497 -1.753 -2.534 1.00 0.00 C ATOM 213 CE1 PHE A 15 -0.078 -1.351 -1.658 1.00 0.00 C ATOM 214 CE2 PHE A 15 1.496 -1.606 -3.445 1.00 0.00 C ATOM 215 CZ PHE A 15 0.199 -1.405 -3.014 1.00 0.00 C ATOM 0 H PHE A 15 5.570 -2.987 -0.301 1.00 0.00 H new ATOM 0 HA PHE A 15 3.129 -3.457 1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 15 3.161 -1.267 0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 15 4.277 -1.504 -0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.725 -1.457 0.311 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.509 -1.911 -2.878 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -1.091 -1.192 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.715 -1.646 -4.502 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.598 -1.290 -3.734 1.00 0.00 H new ATOM 225 N LEU A 16 3.936 -4.929 -1.456 1.00 0.00 N ATOM 226 CA LEU A 16 3.551 -5.862 -2.411 1.00 0.00 C ATOM 227 C LEU A 16 4.504 -7.067 -2.399 1.00 0.00 C ATOM 228 O LEU A 16 4.633 -7.805 -3.370 1.00 0.00 O ATOM 229 CB LEU A 16 3.505 -5.135 -3.745 1.00 0.00 C ATOM 230 CG LEU A 16 4.677 -5.246 -4.749 1.00 0.00 C ATOM 231 CD1 LEU A 16 4.256 -4.697 -6.095 1.00 0.00 C ATOM 232 CD2 LEU A 16 5.874 -4.476 -4.270 1.00 0.00 C ATOM 0 H LEU A 16 4.936 -4.727 -1.441 1.00 0.00 H new ATOM 0 HA LEU A 16 2.565 -6.278 -2.203 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.607 -5.472 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.369 -4.076 -3.528 1.00 0.00 H new ATOM 0 HG LEU A 16 4.942 -6.300 -4.836 1.00 0.00 H new ATOM 0 HD11 LEU A 16 5.086 -4.778 -6.797 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.406 -5.267 -6.471 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.972 -3.650 -5.988 1.00 0.00 H new ATOM 0 HD21 LEU A 16 6.682 -4.572 -4.995 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.609 -3.425 -4.158 1.00 0.00 H new ATOM 0 HD23 LEU A 16 6.200 -4.872 -3.308 1.00 0.00 H new ATOM 244 N VAL A 17 5.120 -7.285 -1.265 1.00 0.00 N ATOM 245 CA VAL A 17 6.105 -8.335 -1.128 1.00 0.00 C ATOM 246 C VAL A 17 5.454 -9.727 -0.973 1.00 0.00 C ATOM 247 O VAL A 17 5.618 -10.594 -1.826 1.00 0.00 O ATOM 248 CB VAL A 17 7.160 -7.992 -0.022 1.00 0.00 C ATOM 249 CG1 VAL A 17 6.569 -7.831 1.365 1.00 0.00 C ATOM 250 CG2 VAL A 17 8.308 -8.958 -0.023 1.00 0.00 C ATOM 0 H VAL A 17 4.957 -6.746 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 17 6.667 -8.392 -2.060 1.00 0.00 H new ATOM 0 HB VAL A 17 7.547 -7.010 -0.292 1.00 0.00 H new ATOM 0 HG11 VAL A 17 7.363 -7.595 2.074 1.00 0.00 H new ATOM 0 HG12 VAL A 17 5.837 -7.023 1.357 1.00 0.00 H new ATOM 0 HG13 VAL A 17 6.081 -8.759 1.663 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.016 -8.683 0.759 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.936 -9.966 0.162 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.808 -8.928 -0.991 1.00 0.00 H new ATOM 260 N HIS A 18 4.732 -9.926 0.091 1.00 0.00 N ATOM 261 CA HIS A 18 3.965 -11.163 0.304 1.00 0.00 C ATOM 262 C HIS A 18 2.519 -10.796 0.409 1.00 0.00 C ATOM 263 O HIS A 18 1.628 -11.648 0.342 1.00 0.00 O ATOM 264 CB HIS A 18 4.383 -11.915 1.577 1.00 0.00 C ATOM 265 CG HIS A 18 5.787 -12.395 1.589 1.00 0.00 C ATOM 266 ND1 HIS A 18 6.144 -13.718 1.579 1.00 0.00 N ATOM 267 CD2 HIS A 18 6.922 -11.705 1.650 1.00 0.00 C ATOM 268 CE1 HIS A 18 7.455 -13.812 1.637 1.00 0.00 C ATOM 269 NE2 HIS A 18 7.952 -12.600 1.683 1.00 0.00 N ATOM 0 H HIS A 18 4.645 -9.248 0.848 1.00 0.00 H new ATOM 0 HA HIS A 18 4.158 -11.829 -0.537 1.00 0.00 H new ATOM 0 HB2 HIS A 18 4.232 -11.259 2.435 1.00 0.00 H new ATOM 0 HB3 HIS A 18 3.721 -12.771 1.709 1.00 0.00 H new ATOM 0 HD2 HIS A 18 7.013 -10.629 1.670 1.00 0.00 H new ATOM 0 HE1 HIS A 18 8.024 -14.730 1.645 1.00 0.00 H new ATOM 0 HE2 HIS A 18 8.943 -12.365 1.735 1.00 0.00 H new ATOM 278 N SER A 19 2.299 -9.485 0.507 1.00 0.00 N ATOM 279 CA SER A 19 1.015 -8.865 0.631 1.00 0.00 C ATOM 280 C SER A 19 0.136 -9.202 -0.530 1.00 0.00 C ATOM 281 O SER A 19 -1.057 -9.210 -0.398 1.00 0.00 O ATOM 282 CB SER A 19 1.224 -7.368 0.694 1.00 0.00 C ATOM 283 OG SER A 19 2.209 -7.033 1.664 1.00 0.00 O ATOM 0 H SER A 19 3.062 -8.808 0.500 1.00 0.00 H new ATOM 0 HA SER A 19 0.524 -9.228 1.534 1.00 0.00 H new ATOM 0 HB2 SER A 19 1.531 -6.998 -0.284 1.00 0.00 H new ATOM 0 HB3 SER A 19 0.283 -6.876 0.940 1.00 0.00 H new ATOM 0 HG SER A 19 2.329 -6.061 1.686 1.00 0.00 H new ATOM 289 N SER A 20 0.771 -9.616 -1.604 1.00 0.00 N ATOM 290 CA SER A 20 0.206 -9.897 -2.931 1.00 0.00 C ATOM 291 C SER A 20 -0.943 -10.920 -2.898 1.00 0.00 C ATOM 292 O SER A 20 -1.665 -11.100 -3.871 1.00 0.00 O ATOM 293 CB SER A 20 1.334 -10.433 -3.781 1.00 0.00 C ATOM 294 OG SER A 20 2.498 -9.654 -3.565 1.00 0.00 O ATOM 0 H SER A 20 1.777 -9.782 -1.584 1.00 0.00 H new ATOM 0 HA SER A 20 -0.221 -8.978 -3.333 1.00 0.00 H new ATOM 0 HB2 SER A 20 1.529 -11.476 -3.530 1.00 0.00 H new ATOM 0 HB3 SER A 20 1.055 -10.405 -4.834 1.00 0.00 H new ATOM 0 HG SER A 20 3.231 -10.002 -4.115 1.00 0.00 H new ATOM 300 N ASN A 21 -1.098 -11.557 -1.792 1.00 0.00 N ATOM 301 CA ASN A 21 -2.088 -12.567 -1.624 1.00 0.00 C ATOM 302 C ASN A 21 -3.170 -12.137 -0.638 1.00 0.00 C ATOM 303 O ASN A 21 -4.113 -12.881 -0.387 1.00 0.00 O ATOM 304 CB ASN A 21 -1.405 -13.828 -1.114 1.00 0.00 C ATOM 305 CG ASN A 21 -0.511 -14.486 -2.142 1.00 0.00 C ATOM 306 OD1 ASN A 21 -0.968 -15.279 -2.961 1.00 0.00 O ATOM 307 ND2 ASN A 21 0.769 -14.203 -2.088 1.00 0.00 N ATOM 0 H ASN A 21 -0.531 -11.389 -0.961 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.571 -12.748 -2.584 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -0.812 -13.580 -0.234 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.166 -14.541 -0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.417 -14.646 -2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.116 -13.540 -1.395 1.00 0.00 H new ATOM 314 N ASN A 22 -3.051 -10.940 -0.074 1.00 0.00 N ATOM 315 CA ASN A 22 -3.927 -10.512 0.984 1.00 0.00 C ATOM 316 C ASN A 22 -4.375 -9.109 0.877 1.00 0.00 C ATOM 317 O ASN A 22 -5.527 -8.803 1.181 1.00 0.00 O ATOM 318 CB ASN A 22 -3.235 -10.652 2.292 1.00 0.00 C ATOM 319 CG ASN A 22 -3.728 -11.817 3.065 1.00 0.00 C ATOM 320 OD1 ASN A 22 -3.746 -11.810 4.295 1.00 0.00 O ATOM 321 ND2 ASN A 22 -4.122 -12.830 2.363 1.00 0.00 N ATOM 0 H ASN A 22 -2.347 -10.252 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.807 -11.150 0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.163 -10.757 2.125 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -3.379 -9.743 2.876 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -4.466 -13.670 2.828 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -4.088 -12.789 1.344 1.00 0.00 H new ATOM 328 N PHE A 23 -3.474 -8.278 0.486 1.00 0.00 N ATOM 329 CA PHE A 23 -3.644 -6.849 0.416 1.00 0.00 C ATOM 330 C PHE A 23 -4.904 -6.438 -0.363 1.00 0.00 C ATOM 331 O PHE A 23 -4.964 -6.426 -1.587 1.00 0.00 O ATOM 332 CB PHE A 23 -2.347 -6.204 -0.077 1.00 0.00 C ATOM 333 CG PHE A 23 -2.042 -6.301 -1.532 1.00 0.00 C ATOM 334 CD1 PHE A 23 -2.264 -7.461 -2.191 1.00 0.00 C ATOM 335 CD2 PHE A 23 -1.500 -5.237 -2.211 1.00 0.00 C ATOM 336 CE1 PHE A 23 -1.971 -7.596 -3.503 1.00 0.00 C ATOM 337 CE2 PHE A 23 -1.194 -5.349 -3.544 1.00 0.00 C ATOM 338 CZ PHE A 23 -1.431 -6.538 -4.197 1.00 0.00 C ATOM 0 H PHE A 23 -2.547 -8.581 0.189 1.00 0.00 H new ATOM 0 HA PHE A 23 -3.831 -6.460 1.417 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -2.373 -5.148 0.192 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -1.518 -6.652 0.471 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -2.685 -8.299 -1.656 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -1.314 -4.308 -1.693 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -2.160 -8.533 -4.006 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.770 -4.511 -4.077 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.195 -6.639 -5.246 1.00 0.00 H new ATOM 348 N GLY A 24 -5.925 -6.216 0.402 1.00 0.00 N ATOM 349 CA GLY A 24 -7.249 -5.908 -0.103 1.00 0.00 C ATOM 350 C GLY A 24 -7.887 -7.031 -0.875 1.00 0.00 C ATOM 351 O GLY A 24 -8.943 -6.869 -1.458 1.00 0.00 O ATOM 0 H GLY A 24 -5.873 -6.242 1.420 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -7.894 -5.645 0.735 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.186 -5.029 -0.745 1.00 0.00 H new ATOM 355 N ALA A 25 -7.302 -8.182 -0.775 1.00 0.00 N ATOM 356 CA ALA A 25 -7.754 -9.344 -1.437 1.00 0.00 C ATOM 357 C ALA A 25 -8.783 -9.913 -0.569 1.00 0.00 C ATOM 358 O ALA A 25 -9.821 -10.384 -1.007 1.00 0.00 O ATOM 359 CB ALA A 25 -6.609 -10.313 -1.572 1.00 0.00 C ATOM 0 H ALA A 25 -6.468 -8.334 -0.208 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.139 -9.129 -2.434 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.952 -11.213 -2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.808 -9.851 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.237 -10.577 -0.582 1.00 0.00 H new ATOM 365 N ILE A 26 -8.495 -9.797 0.688 1.00 0.00 N ATOM 366 CA ILE A 26 -9.316 -10.264 1.683 1.00 0.00 C ATOM 367 C ILE A 26 -10.030 -9.119 2.410 1.00 0.00 C ATOM 368 O ILE A 26 -11.250 -9.136 2.546 1.00 0.00 O ATOM 369 CB ILE A 26 -8.546 -11.178 2.672 1.00 0.00 C ATOM 370 CG1 ILE A 26 -9.407 -11.483 3.870 1.00 0.00 C ATOM 371 CG2 ILE A 26 -7.215 -10.551 3.090 1.00 0.00 C ATOM 372 CD1 ILE A 26 -8.784 -12.419 4.880 1.00 0.00 C ATOM 0 H ILE A 26 -7.643 -9.353 1.030 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.086 -10.874 1.210 1.00 0.00 H new ATOM 0 HB ILE A 26 -8.314 -12.115 2.165 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -9.655 -10.546 4.369 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -10.345 -11.917 3.524 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -6.701 -11.217 3.783 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.594 -10.395 2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -7.401 -9.594 3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -9.478 -12.578 5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -8.562 -13.374 4.403 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -7.862 -11.981 5.261 1.00 0.00 H new ATOM 384 N LEU A 27 -9.281 -8.082 2.796 1.00 0.00 N ATOM 385 CA LEU A 27 -9.814 -7.057 3.639 1.00 0.00 C ATOM 386 C LEU A 27 -10.715 -6.130 2.925 1.00 0.00 C ATOM 387 O LEU A 27 -11.606 -5.537 3.528 1.00 0.00 O ATOM 388 CB LEU A 27 -8.689 -6.310 4.331 1.00 0.00 C ATOM 389 CG LEU A 27 -7.669 -5.511 3.502 1.00 0.00 C ATOM 390 CD1 LEU A 27 -8.190 -4.127 3.126 1.00 0.00 C ATOM 391 CD2 LEU A 27 -6.364 -5.395 4.247 1.00 0.00 C ATOM 0 H LEU A 27 -8.306 -7.948 2.528 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.429 -7.549 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -9.147 -5.617 5.036 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.130 -7.039 4.918 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.505 -6.059 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.435 -3.601 2.542 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.100 -4.229 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.407 -3.561 4.032 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.652 -4.827 3.648 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.530 -4.883 5.195 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.964 -6.391 4.438 1.00 0.00 H new ATOM 403 N SER A 28 -10.506 -5.976 1.650 1.00 0.00 N ATOM 404 CA SER A 28 -11.314 -5.050 0.969 1.00 0.00 C ATOM 405 C SER A 28 -12.679 -5.665 0.620 1.00 0.00 C ATOM 406 O SER A 28 -13.638 -4.964 0.309 1.00 0.00 O ATOM 407 CB SER A 28 -10.628 -4.471 -0.247 1.00 0.00 C ATOM 408 OG SER A 28 -9.471 -3.745 0.123 1.00 0.00 O ATOM 0 H SER A 28 -9.807 -6.466 1.091 1.00 0.00 H new ATOM 0 HA SER A 28 -11.488 -4.213 1.646 1.00 0.00 H new ATOM 0 HB2 SER A 28 -10.355 -5.274 -0.932 1.00 0.00 H new ATOM 0 HB3 SER A 28 -11.317 -3.817 -0.781 1.00 0.00 H new ATOM 0 HG SER A 28 -9.043 -3.381 -0.680 1.00 0.00 H new ATOM 414 N SER A 29 -12.713 -6.991 0.638 1.00 0.00 N ATOM 415 CA SER A 29 -13.900 -7.826 0.391 1.00 0.00 C ATOM 416 C SER A 29 -14.386 -7.839 -1.074 1.00 0.00 C ATOM 417 O SER A 29 -14.940 -8.843 -1.546 1.00 0.00 O ATOM 418 CB SER A 29 -15.010 -7.531 1.392 1.00 0.00 C ATOM 419 OG SER A 29 -14.529 -7.726 2.724 1.00 0.00 O ATOM 0 H SER A 29 -11.880 -7.547 0.833 1.00 0.00 H new ATOM 0 HA SER A 29 -13.576 -8.853 0.561 1.00 0.00 H new ATOM 0 HB2 SER A 29 -15.360 -6.506 1.269 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.863 -8.183 1.205 1.00 0.00 H new ATOM 0 HG SER A 29 -15.247 -7.533 3.363 1.00 0.00 H new ATOM 425 N THR A 30 -14.143 -6.768 -1.789 1.00 0.00 N ATOM 426 CA THR A 30 -14.455 -6.682 -3.207 1.00 0.00 C ATOM 427 C THR A 30 -13.732 -7.802 -3.975 1.00 0.00 C ATOM 428 O THR A 30 -14.330 -8.493 -4.801 1.00 0.00 O ATOM 429 CB THR A 30 -14.098 -5.266 -3.786 1.00 0.00 C ATOM 430 OG1 THR A 30 -14.204 -5.243 -5.222 1.00 0.00 O ATOM 431 CG2 THR A 30 -12.700 -4.831 -3.363 1.00 0.00 C ATOM 0 H THR A 30 -13.720 -5.922 -1.407 1.00 0.00 H new ATOM 0 HA THR A 30 -15.529 -6.817 -3.333 1.00 0.00 H new ATOM 0 HB THR A 30 -14.821 -4.562 -3.374 1.00 0.00 H new ATOM 0 HG1 THR A 30 -14.939 -5.827 -5.505 1.00 0.00 H new ATOM 0 HG21 THR A 30 -12.483 -3.847 -3.780 1.00 0.00 H new ATOM 0 HG22 THR A 30 -12.647 -4.784 -2.275 1.00 0.00 H new ATOM 0 HG23 THR A 30 -11.968 -5.550 -3.731 1.00 0.00 H new ATOM 439 N ASN A 31 -12.497 -8.057 -3.585 1.00 0.00 N ATOM 440 CA ASN A 31 -11.655 -9.064 -4.222 1.00 0.00 C ATOM 441 C ASN A 31 -11.993 -10.463 -3.746 1.00 0.00 C ATOM 442 O ASN A 31 -11.381 -11.429 -4.164 1.00 0.00 O ATOM 443 CB ASN A 31 -10.180 -8.766 -3.983 1.00 0.00 C ATOM 444 CG ASN A 31 -9.689 -7.551 -4.737 1.00 0.00 C ATOM 445 OD1 ASN A 31 -9.799 -6.430 -4.263 1.00 0.00 O ATOM 446 ND2 ASN A 31 -9.117 -7.765 -5.888 1.00 0.00 N ATOM 0 H ASN A 31 -12.043 -7.570 -2.812 1.00 0.00 H new ATOM 0 HA ASN A 31 -11.853 -9.020 -5.293 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.014 -8.615 -2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -9.588 -9.633 -4.278 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.743 -6.983 -6.425 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -9.043 -8.715 -6.252 1.00 0.00 H new ATOM 453 N VAL A 32 -12.970 -10.568 -2.871 1.00 0.00 N ATOM 454 CA VAL A 32 -13.448 -11.863 -2.412 1.00 0.00 C ATOM 455 C VAL A 32 -14.715 -12.190 -3.219 1.00 0.00 C ATOM 456 O VAL A 32 -15.343 -13.236 -3.063 1.00 0.00 O ATOM 457 CB VAL A 32 -13.778 -11.851 -0.881 1.00 0.00 C ATOM 458 CG1 VAL A 32 -14.035 -13.253 -0.354 1.00 0.00 C ATOM 459 CG2 VAL A 32 -12.669 -11.202 -0.088 1.00 0.00 C ATOM 0 H VAL A 32 -13.454 -9.770 -2.459 1.00 0.00 H new ATOM 0 HA VAL A 32 -12.673 -12.615 -2.562 1.00 0.00 H new ATOM 0 HB VAL A 32 -14.688 -11.264 -0.757 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -14.261 -13.206 0.711 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -14.880 -13.692 -0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -13.149 -13.868 -0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.927 -11.209 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.742 -11.755 -0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.536 -10.173 -0.423 1.00 0.00 H new ATOM 469 N GLY A 33 -15.079 -11.264 -4.088 1.00 0.00 N ATOM 470 CA GLY A 33 -16.232 -11.446 -4.913 1.00 0.00 C ATOM 471 C GLY A 33 -17.491 -10.950 -4.257 1.00 0.00 C ATOM 472 O GLY A 33 -18.592 -11.346 -4.646 1.00 0.00 O ATOM 0 H GLY A 33 -14.585 -10.383 -4.231 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -16.086 -10.921 -5.857 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -16.342 -12.504 -5.151 1.00 0.00 H new ATOM 476 N SER A 34 -17.343 -10.080 -3.266 1.00 0.00 N ATOM 477 CA SER A 34 -18.486 -9.536 -2.560 1.00 0.00 C ATOM 478 C SER A 34 -18.923 -8.261 -3.283 1.00 0.00 C ATOM 479 O SER A 34 -20.006 -7.713 -3.056 1.00 0.00 O ATOM 480 CB SER A 34 -18.090 -9.263 -1.097 1.00 0.00 C ATOM 481 OG SER A 34 -19.199 -8.904 -0.283 1.00 0.00 O ATOM 0 H SER A 34 -16.440 -9.738 -2.936 1.00 0.00 H new ATOM 0 HA SER A 34 -19.322 -10.235 -2.549 1.00 0.00 H new ATOM 0 HB2 SER A 34 -17.614 -10.152 -0.683 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.351 -8.463 -1.069 1.00 0.00 H new ATOM 0 HG SER A 34 -18.893 -8.743 0.634 1.00 0.00 H new ATOM 487 N ASN A 35 -18.064 -7.823 -4.179 1.00 0.00 N ATOM 488 CA ASN A 35 -18.296 -6.685 -5.020 1.00 0.00 C ATOM 489 C ASN A 35 -17.558 -6.946 -6.295 1.00 0.00 C ATOM 490 O ASN A 35 -16.322 -6.898 -6.322 1.00 0.00 O ATOM 491 CB ASN A 35 -17.766 -5.412 -4.382 1.00 0.00 C ATOM 492 CG ASN A 35 -18.078 -4.173 -5.222 1.00 0.00 C ATOM 493 OD1 ASN A 35 -17.312 -3.801 -6.112 1.00 0.00 O ATOM 494 ND2 ASN A 35 -19.185 -3.544 -4.963 1.00 0.00 N ATOM 0 H ASN A 35 -17.160 -8.268 -4.341 1.00 0.00 H new ATOM 0 HA ASN A 35 -19.365 -6.546 -5.184 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -18.202 -5.296 -3.390 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -16.688 -5.496 -4.248 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -19.440 -2.717 -5.503 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -19.799 -3.877 -4.219 1.00 0.00 H new ATOM 501 N THR A 36 -18.274 -7.275 -7.326 1.00 0.00 N ATOM 502 CA THR A 36 -17.649 -7.642 -8.572 1.00 0.00 C ATOM 503 C THR A 36 -17.778 -6.484 -9.582 1.00 0.00 C ATOM 504 O THR A 36 -17.615 -6.657 -10.790 1.00 0.00 O ATOM 505 CB THR A 36 -18.308 -8.938 -9.103 1.00 0.00 C ATOM 506 OG1 THR A 36 -18.571 -9.806 -7.969 1.00 0.00 O ATOM 507 CG2 THR A 36 -17.360 -9.676 -10.043 1.00 0.00 C ATOM 0 H THR A 36 -19.294 -7.299 -7.335 1.00 0.00 H new ATOM 0 HA THR A 36 -16.586 -7.832 -8.421 1.00 0.00 H new ATOM 0 HB THR A 36 -19.222 -8.680 -9.639 1.00 0.00 H new ATOM 0 HG1 THR A 36 -18.991 -10.634 -8.282 1.00 0.00 H new ATOM 0 HG21 THR A 36 -17.841 -10.584 -10.406 1.00 0.00 H new ATOM 0 HG22 THR A 36 -17.113 -9.034 -10.888 1.00 0.00 H new ATOM 0 HG23 THR A 36 -16.447 -9.938 -9.507 1.00 0.00 H new HETATM 515 N TYC A 37 -18.034 -5.298 -9.060 1.00 0.00 N HETATM 516 CA TYC A 37 -18.184 -4.116 -9.882 1.00 0.00 C HETATM 517 C TYC A 37 -16.826 -3.531 -10.225 1.00 0.00 C HETATM 518 O TYC A 37 -16.291 -2.698 -9.494 1.00 0.00 O HETATM 519 CB TYC A 37 -19.056 -3.064 -9.184 1.00 0.00 C HETATM 520 CG TYC A 37 -20.495 -3.483 -8.991 1.00 0.00 C HETATM 521 CD1 TYC A 37 -20.995 -3.806 -7.736 1.00 0.00 C HETATM 522 CD2 TYC A 37 -21.353 -3.555 -10.071 1.00 0.00 C HETATM 523 CE1 TYC A 37 -22.313 -4.190 -7.576 1.00 0.00 C HETATM 524 CE2 TYC A 37 -22.663 -3.935 -9.916 1.00 0.00 C HETATM 525 OH TYC A 37 -24.461 -4.634 -8.537 1.00 0.00 O HETATM 526 CZ TYC A 37 -23.139 -4.250 -8.677 1.00 0.00 C HETATM 527 NXT TYC A 37 -16.260 -3.977 -11.312 1.00 0.00 N HETATM 0 HT22 TYC A 37 -15.347 -3.621 -11.594 1.00 0.00 H new HETATM 0 HT21 TYC A 37 -16.731 -4.682 -11.880 1.00 0.00 H new HETATM 0 HH TYC A 37 -24.900 -4.620 -9.413 1.00 0.00 H new HETATM 0 HE2 TYC A 37 -23.322 -3.985 -10.782 1.00 0.00 H new HETATM 0 HE1 TYC A 37 -22.696 -4.443 -6.587 1.00 0.00 H new HETATM 0 HD2 TYC A 37 -20.983 -3.305 -11.065 1.00 0.00 H new HETATM 0 HD1 TYC A 37 -20.340 -3.756 -6.866 1.00 0.00 H new HETATM 0 HB2 TYC A 37 -18.622 -2.836 -8.211 1.00 0.00 H new HETATM 0 HB1 TYC A 37 -19.032 -2.143 -9.767 1.00 0.00 H new HETATM 0 HA TYC A 37 -18.682 -4.411 -10.805 1.00 0.00 H new TER 539 TYC A 37