USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 276 hydrogens (2 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 Set 1.1: A 4 THR OG1 : rot 180:sc= 0.0039 USER MOD Set 1.2: A 6 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.527 X(o=-0.53,f=-0.12) USER MOD Single : A 9 THR OG1 : rot 90:sc= 0.00103 USER MOD Single : A 10 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.12) USER MOD Single : A 14 ASN : amide:sc= 0.416 X(o=0.42,f=0) USER MOD Single : A 19 SER OG : rot 83:sc= 1.14 USER MOD Single : A 20 SER OG : rot -90:sc= 0.444 USER MOD Single : A 21 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.41) USER MOD Single : A 22 ASN : amide:sc= -0.0741 K(o=-0.074,f=-1.6!) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.425 X(o=-0.43,f=-0.41) USER MOD Single : A 34 SER OG : rot 73:sc= 0.48 USER MOD Single : A 35 ASN : amide:sc= -0.0131 X(o=-0.013,f=0) USER MOD Single : A 36 THR OG1 : rot 14:sc= 0.16 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -8.299 -19.941 -1.804 1.00 0.00 N ATOM 2 CA LYS A 1 -6.905 -20.428 -1.590 1.00 0.00 C ATOM 3 C LYS A 1 -6.668 -21.717 -2.381 1.00 0.00 C ATOM 4 O LYS A 1 -6.948 -22.803 -1.913 1.00 0.00 O ATOM 5 CB LYS A 1 -6.806 -20.697 -0.088 1.00 0.00 C ATOM 6 CG LYS A 1 -5.596 -19.956 0.487 1.00 0.00 C ATOM 7 CD LYS A 1 -4.835 -20.878 1.439 1.00 0.00 C ATOM 8 CE LYS A 1 -4.762 -20.234 2.825 1.00 0.00 C ATOM 9 NZ LYS A 1 -5.136 -21.319 3.775 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.448 -19.066 -1.262 1.00 0.00 H new ATOM 0 H2 LYS A 1 -8.449 -19.752 -2.816 1.00 0.00 H new ATOM 0 H3 LYS A 1 -8.973 -20.665 -1.484 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.160 -19.707 -1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -7.717 -20.369 0.411 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -6.710 -21.767 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -4.940 -19.629 -0.320 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -5.923 -19.060 1.016 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -5.334 -21.845 1.502 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.830 -21.062 1.058 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -3.761 -19.856 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -5.445 -19.388 2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -5.109 -20.953 4.748 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.096 -21.655 3.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -4.465 -22.108 3.683 1.00 0.00 H new ATOM 25 N CYS A 2 -6.154 -21.608 -3.575 1.00 0.00 N ATOM 26 CA CYS A 2 -5.900 -22.833 -4.386 1.00 0.00 C ATOM 27 C CYS A 2 -4.551 -23.449 -4.003 1.00 0.00 C ATOM 28 O CYS A 2 -4.400 -24.654 -3.954 1.00 0.00 O ATOM 29 CB CYS A 2 -5.892 -22.357 -5.842 1.00 0.00 C ATOM 30 SG CYS A 2 -4.368 -21.439 -6.182 1.00 0.00 S ATOM 0 H CYS A 2 -5.900 -20.728 -4.023 1.00 0.00 H new ATOM 0 HA CYS A 2 -6.654 -23.603 -4.221 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -5.969 -23.212 -6.514 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -6.758 -21.723 -6.031 1.00 0.00 H new ATOM 35 N ASN A 3 -3.568 -22.631 -3.730 1.00 0.00 N ATOM 36 CA ASN A 3 -2.232 -23.173 -3.351 1.00 0.00 C ATOM 37 C ASN A 3 -1.596 -22.316 -2.253 1.00 0.00 C ATOM 38 O ASN A 3 -1.467 -22.736 -1.121 1.00 0.00 O ATOM 39 CB ASN A 3 -1.402 -23.106 -4.633 1.00 0.00 C ATOM 40 CG ASN A 3 -1.281 -24.507 -5.235 1.00 0.00 C ATOM 41 OD1 ASN A 3 -1.432 -24.683 -6.427 1.00 0.00 O ATOM 42 ND2 ASN A 3 -1.013 -25.518 -4.455 1.00 0.00 N ATOM 0 H ASN A 3 -3.633 -21.613 -3.753 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.297 -24.187 -2.957 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -1.871 -22.430 -5.348 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.412 -22.704 -4.418 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.930 -26.456 -4.846 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.886 -25.370 -3.454 1.00 0.00 H new ATOM 49 N THR A 4 -1.192 -21.117 -2.583 1.00 0.00 N ATOM 50 CA THR A 4 -0.556 -20.235 -1.561 1.00 0.00 C ATOM 51 C THR A 4 -1.531 -19.139 -1.119 1.00 0.00 C ATOM 52 O THR A 4 -2.732 -19.281 -1.231 1.00 0.00 O ATOM 53 CB THR A 4 0.654 -19.622 -2.268 1.00 0.00 C ATOM 54 OG1 THR A 4 0.214 -18.889 -3.403 1.00 0.00 O ATOM 55 CG2 THR A 4 1.605 -20.734 -2.714 1.00 0.00 C ATOM 0 H THR A 4 -1.275 -20.711 -3.515 1.00 0.00 H new ATOM 0 HA THR A 4 -0.272 -20.784 -0.663 1.00 0.00 H new ATOM 0 HB THR A 4 1.177 -18.955 -1.583 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.987 -18.494 -3.857 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.467 -20.296 -3.218 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.941 -21.296 -1.843 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.086 -21.403 -3.400 1.00 0.00 H new ATOM 63 N ALA A 5 -1.021 -18.049 -0.613 1.00 0.00 N ATOM 64 CA ALA A 5 -1.918 -16.946 -0.159 1.00 0.00 C ATOM 65 C ALA A 5 -2.335 -16.068 -1.330 1.00 0.00 C ATOM 66 O ALA A 5 -3.489 -15.761 -1.500 1.00 0.00 O ATOM 67 CB ALA A 5 -1.087 -16.111 0.807 1.00 0.00 C ATOM 0 H ALA A 5 -0.023 -17.874 -0.494 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.823 -17.346 0.297 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.687 -15.281 1.180 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.768 -16.733 1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.210 -15.721 0.290 1.00 0.00 H new ATOM 73 N THR A 6 -1.394 -15.642 -2.120 1.00 0.00 N ATOM 74 CA THR A 6 -1.724 -14.745 -3.261 1.00 0.00 C ATOM 75 C THR A 6 -2.863 -15.327 -4.096 1.00 0.00 C ATOM 76 O THR A 6 -3.788 -14.626 -4.457 1.00 0.00 O ATOM 77 CB THR A 6 -0.428 -14.665 -4.062 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.145 -15.940 -4.623 1.00 0.00 O ATOM 79 CG2 THR A 6 0.711 -14.253 -3.125 1.00 0.00 C ATOM 0 H THR A 6 -0.406 -15.877 -2.025 1.00 0.00 H new ATOM 0 HA THR A 6 -2.068 -13.762 -2.939 1.00 0.00 H new ATOM 0 HB THR A 6 -0.529 -13.932 -4.862 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.686 -15.893 -5.140 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.642 -14.193 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.488 -13.280 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.814 -14.993 -2.331 1.00 0.00 H new ATOM 87 N CYS A 7 -2.840 -16.596 -4.385 1.00 0.00 N ATOM 88 CA CYS A 7 -3.969 -17.171 -5.165 1.00 0.00 C ATOM 89 C CYS A 7 -5.270 -16.726 -4.497 1.00 0.00 C ATOM 90 O CYS A 7 -6.171 -16.211 -5.127 1.00 0.00 O ATOM 91 CB CYS A 7 -3.797 -18.686 -5.068 1.00 0.00 C ATOM 92 SG CYS A 7 -4.946 -19.502 -6.203 1.00 0.00 S ATOM 0 H CYS A 7 -2.103 -17.250 -4.121 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.990 -16.852 -6.207 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.771 -18.962 -5.312 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.982 -19.018 -4.046 1.00 0.00 H new ATOM 97 N ALA A 8 -5.345 -16.903 -3.207 1.00 0.00 N ATOM 98 CA ALA A 8 -6.549 -16.477 -2.441 1.00 0.00 C ATOM 99 C ALA A 8 -6.536 -14.969 -2.260 1.00 0.00 C ATOM 100 O ALA A 8 -7.470 -14.261 -2.568 1.00 0.00 O ATOM 101 CB ALA A 8 -6.346 -17.110 -1.074 1.00 0.00 C ATOM 0 H ALA A 8 -4.611 -17.332 -2.643 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.479 -16.761 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.185 -16.855 -0.427 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.285 -18.193 -1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.422 -16.736 -0.633 1.00 0.00 H new ATOM 107 N THR A 9 -5.447 -14.506 -1.739 1.00 0.00 N ATOM 108 CA THR A 9 -5.242 -13.069 -1.467 1.00 0.00 C ATOM 109 C THR A 9 -5.429 -12.247 -2.747 1.00 0.00 C ATOM 110 O THR A 9 -5.606 -11.046 -2.723 1.00 0.00 O ATOM 111 CB THR A 9 -3.805 -13.026 -0.961 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.783 -13.436 0.402 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.221 -11.614 -1.074 1.00 0.00 C ATOM 0 H THR A 9 -4.655 -15.093 -1.479 1.00 0.00 H new ATOM 0 HA THR A 9 -5.949 -12.645 -0.754 1.00 0.00 H new ATOM 0 HB THR A 9 -3.200 -13.696 -1.572 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.661 -14.407 0.450 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.195 -11.614 -0.706 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.232 -11.298 -2.117 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.820 -10.924 -0.480 1.00 0.00 H new ATOM 121 N GLN A 10 -5.383 -12.877 -3.875 1.00 0.00 N ATOM 122 CA GLN A 10 -5.551 -12.109 -5.131 1.00 0.00 C ATOM 123 C GLN A 10 -6.805 -11.242 -5.020 1.00 0.00 C ATOM 124 O GLN A 10 -6.871 -10.154 -5.553 1.00 0.00 O ATOM 125 CB GLN A 10 -5.713 -13.160 -6.227 1.00 0.00 C ATOM 126 CG GLN A 10 -5.146 -12.622 -7.541 1.00 0.00 C ATOM 127 CD GLN A 10 -4.274 -13.695 -8.193 1.00 0.00 C ATOM 128 OE1 GLN A 10 -4.416 -13.981 -9.366 1.00 0.00 O ATOM 129 NE2 GLN A 10 -3.371 -14.308 -7.478 1.00 0.00 N ATOM 0 H GLN A 10 -5.238 -13.881 -3.986 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.710 -11.448 -5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.196 -14.077 -5.945 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.766 -13.413 -6.350 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.957 -12.340 -8.212 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.558 -11.723 -7.356 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.251 -14.069 -6.494 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.785 -15.026 -7.903 1.00 0.00 H new ATOM 138 N ARG A 11 -7.799 -11.716 -4.316 1.00 0.00 N ATOM 139 CA ARG A 11 -9.044 -10.910 -4.157 1.00 0.00 C ATOM 140 C ARG A 11 -8.898 -9.913 -2.995 1.00 0.00 C ATOM 141 O ARG A 11 -9.258 -8.762 -3.121 1.00 0.00 O ATOM 142 CB ARG A 11 -10.177 -11.912 -3.888 1.00 0.00 C ATOM 143 CG ARG A 11 -9.763 -12.937 -2.826 1.00 0.00 C ATOM 144 CD ARG A 11 -10.776 -12.923 -1.680 1.00 0.00 C ATOM 145 NE ARG A 11 -11.328 -14.306 -1.636 1.00 0.00 N ATOM 146 CZ ARG A 11 -12.271 -14.667 -2.466 1.00 0.00 C ATOM 147 NH1 ARG A 11 -12.723 -13.825 -3.357 1.00 0.00 N ATOM 148 NH2 ARG A 11 -12.759 -15.876 -2.409 1.00 0.00 N ATOM 0 H ARG A 11 -7.803 -12.622 -3.847 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.252 -10.320 -5.050 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.068 -11.379 -3.556 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.439 -12.427 -4.812 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.711 -13.932 -3.267 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.768 -12.703 -2.448 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.300 -12.658 -0.736 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.563 -12.190 -1.858 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.968 -14.975 -0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.340 -12.881 -3.407 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.459 -14.112 -4.002 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.405 -16.537 -1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.495 -16.160 -3.056 1.00 0.00 H new ATOM 162 N LEU A 12 -8.372 -10.331 -1.871 1.00 0.00 N ATOM 163 CA LEU A 12 -8.212 -9.379 -0.732 1.00 0.00 C ATOM 164 C LEU A 12 -7.065 -8.454 -0.986 1.00 0.00 C ATOM 165 O LEU A 12 -7.013 -7.369 -0.447 1.00 0.00 O ATOM 166 CB LEU A 12 -8.047 -10.243 0.537 1.00 0.00 C ATOM 167 CG LEU A 12 -6.598 -10.283 1.070 1.00 0.00 C ATOM 168 CD1 LEU A 12 -5.654 -10.687 -0.029 1.00 0.00 C ATOM 169 CD2 LEU A 12 -6.152 -8.937 1.590 1.00 0.00 C ATOM 0 H LEU A 12 -8.049 -11.282 -1.694 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.076 -8.727 -0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.702 -9.857 1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.374 -11.260 0.320 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.581 -11.006 1.886 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.635 -10.712 0.357 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.927 -11.676 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.715 -9.966 -0.844 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.128 -9.009 1.955 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.200 -8.202 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.807 -8.626 2.404 1.00 0.00 H new ATOM 181 N ALA A 13 -6.161 -8.831 -1.820 1.00 0.00 N ATOM 182 CA ALA A 13 -5.047 -7.915 -2.107 1.00 0.00 C ATOM 183 C ALA A 13 -5.625 -6.535 -2.252 1.00 0.00 C ATOM 184 O ALA A 13 -5.103 -5.561 -1.769 1.00 0.00 O ATOM 185 CB ALA A 13 -4.517 -8.394 -3.438 1.00 0.00 C ATOM 0 H ALA A 13 -6.142 -9.724 -2.312 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.272 -7.894 -1.341 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.677 -7.769 -3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.186 -9.428 -3.347 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.306 -8.330 -4.188 1.00 0.00 H new ATOM 191 N ASN A 14 -6.756 -6.511 -2.870 1.00 0.00 N ATOM 192 CA ASN A 14 -7.518 -5.271 -3.077 1.00 0.00 C ATOM 193 C ASN A 14 -7.892 -4.650 -1.733 1.00 0.00 C ATOM 194 O ASN A 14 -7.725 -3.474 -1.492 1.00 0.00 O ATOM 195 CB ASN A 14 -8.775 -5.790 -3.754 1.00 0.00 C ATOM 196 CG ASN A 14 -8.499 -6.083 -5.225 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.236 -5.187 -6.002 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.551 -7.319 -5.638 1.00 0.00 N ATOM 0 H ASN A 14 -7.203 -7.342 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.977 -4.510 -3.639 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.119 -6.695 -3.254 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.574 -5.054 -3.666 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.370 -7.537 -6.618 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.772 -8.067 -4.981 1.00 0.00 H new ATOM 205 N PHE A 15 -8.409 -5.467 -0.870 1.00 0.00 N ATOM 206 CA PHE A 15 -8.838 -5.019 0.480 1.00 0.00 C ATOM 207 C PHE A 15 -7.688 -4.296 1.167 1.00 0.00 C ATOM 208 O PHE A 15 -7.871 -3.359 1.917 1.00 0.00 O ATOM 209 CB PHE A 15 -9.203 -6.362 1.152 1.00 0.00 C ATOM 210 CG PHE A 15 -8.669 -6.533 2.556 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.605 -5.478 3.462 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.277 -7.807 2.951 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.144 -5.709 4.761 1.00 0.00 C ATOM 214 CE2 PHE A 15 -7.810 -8.046 4.235 1.00 0.00 C ATOM 215 CZ PHE A 15 -7.742 -6.995 5.151 1.00 0.00 C ATOM 0 H PHE A 15 -8.558 -6.460 -1.048 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.664 -4.308 0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.289 -6.457 1.177 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.826 -7.176 0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.910 -4.486 3.163 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.337 -8.624 2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.097 -4.894 5.468 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.501 -9.040 4.524 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.382 -7.171 6.154 1.00 0.00 H new ATOM 225 N LEU A 16 -6.509 -4.741 0.918 1.00 0.00 N ATOM 226 CA LEU A 16 -5.321 -4.133 1.558 1.00 0.00 C ATOM 227 C LEU A 16 -4.716 -3.012 0.718 1.00 0.00 C ATOM 228 O LEU A 16 -4.472 -1.926 1.204 1.00 0.00 O ATOM 229 CB LEU A 16 -4.391 -5.322 1.630 1.00 0.00 C ATOM 230 CG LEU A 16 -4.989 -6.333 2.587 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.010 -7.485 2.803 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.302 -5.659 3.924 1.00 0.00 C ATOM 0 H LEU A 16 -6.306 -5.516 0.286 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.535 -3.659 2.516 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.262 -5.764 0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.404 -5.012 1.972 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.912 -6.726 2.161 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.446 -8.208 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.804 -7.971 1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.081 -7.099 3.222 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.732 -6.390 4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.384 -5.257 4.352 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.014 -4.849 3.765 1.00 0.00 H new ATOM 244 N VAL A 17 -4.468 -3.258 -0.531 1.00 0.00 N ATOM 245 CA VAL A 17 -3.876 -2.191 -1.375 1.00 0.00 C ATOM 246 C VAL A 17 -4.892 -1.065 -1.517 1.00 0.00 C ATOM 247 O VAL A 17 -4.555 0.102 -1.509 1.00 0.00 O ATOM 248 CB VAL A 17 -3.561 -2.871 -2.704 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.434 -3.879 -2.470 1.00 0.00 C ATOM 250 CG2 VAL A 17 -4.795 -3.615 -3.216 1.00 0.00 C ATOM 0 H VAL A 17 -4.647 -4.144 -1.003 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.973 -1.744 -0.960 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.265 -2.124 -3.440 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.192 -4.378 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.552 -3.358 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.755 -4.620 -1.737 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.561 -4.097 -4.165 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.092 -4.370 -2.489 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.612 -2.908 -3.360 1.00 0.00 H new ATOM 260 N ARG A 18 -6.141 -1.413 -1.596 1.00 0.00 N ATOM 261 CA ARG A 18 -7.198 -0.381 -1.676 1.00 0.00 C ATOM 262 C ARG A 18 -7.436 0.162 -0.266 1.00 0.00 C ATOM 263 O ARG A 18 -7.966 1.238 -0.075 1.00 0.00 O ATOM 264 CB ARG A 18 -8.423 -1.130 -2.189 1.00 0.00 C ATOM 265 CG ARG A 18 -9.445 -0.134 -2.741 1.00 0.00 C ATOM 266 CD ARG A 18 -10.547 0.099 -1.704 1.00 0.00 C ATOM 267 NE ARG A 18 -11.785 0.331 -2.502 1.00 0.00 N ATOM 268 CZ ARG A 18 -12.961 0.141 -1.963 1.00 0.00 C ATOM 269 NH1 ARG A 18 -13.060 -0.242 -0.718 1.00 0.00 N ATOM 270 NH2 ARG A 18 -14.040 0.338 -2.671 1.00 0.00 N ATOM 0 H ARG A 18 -6.475 -2.377 -1.609 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.951 0.461 -2.322 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.130 -1.834 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.868 -1.713 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.955 0.809 -2.984 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.877 -0.516 -3.666 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.658 -0.762 -1.045 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.319 0.957 -1.071 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.714 0.639 -3.472 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -12.218 -0.394 -0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.979 -0.389 -0.301 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.965 0.639 -3.643 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.958 0.190 -2.253 1.00 0.00 H new ATOM 284 N SER A 19 -7.033 -0.596 0.725 1.00 0.00 N ATOM 285 CA SER A 19 -7.211 -0.160 2.137 1.00 0.00 C ATOM 286 C SER A 19 -6.423 1.126 2.394 1.00 0.00 C ATOM 287 O SER A 19 -6.842 1.985 3.145 1.00 0.00 O ATOM 288 CB SER A 19 -6.646 -1.306 2.973 1.00 0.00 C ATOM 289 OG SER A 19 -7.682 -1.852 3.780 1.00 0.00 O ATOM 0 H SER A 19 -6.585 -1.505 0.610 1.00 0.00 H new ATOM 0 HA SER A 19 -8.253 0.050 2.379 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.231 -2.076 2.323 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.831 -0.946 3.601 1.00 0.00 H new ATOM 0 HG SER A 19 -8.204 -2.492 3.253 1.00 0.00 H new ATOM 295 N SER A 20 -5.281 1.261 1.774 1.00 0.00 N ATOM 296 CA SER A 20 -4.459 2.488 1.978 1.00 0.00 C ATOM 297 C SER A 20 -5.233 3.726 1.517 1.00 0.00 C ATOM 298 O SER A 20 -4.849 4.846 1.789 1.00 0.00 O ATOM 299 CB SER A 20 -3.212 2.277 1.120 1.00 0.00 C ATOM 300 OG SER A 20 -3.507 2.616 -0.228 1.00 0.00 O ATOM 0 H SER A 20 -4.882 0.574 1.135 1.00 0.00 H new ATOM 0 HA SER A 20 -4.206 2.648 3.026 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.393 2.893 1.491 1.00 0.00 H new ATOM 0 HB3 SER A 20 -2.885 1.239 1.183 1.00 0.00 H new ATOM 0 HG SER A 20 -3.838 1.823 -0.700 1.00 0.00 H new ATOM 306 N ASN A 21 -6.321 3.533 0.821 1.00 0.00 N ATOM 307 CA ASN A 21 -7.122 4.698 0.343 1.00 0.00 C ATOM 308 C ASN A 21 -7.224 5.755 1.446 1.00 0.00 C ATOM 309 O ASN A 21 -6.809 6.884 1.277 1.00 0.00 O ATOM 310 CB ASN A 21 -8.501 4.121 0.019 1.00 0.00 C ATOM 311 CG ASN A 21 -9.470 5.259 -0.308 1.00 0.00 C ATOM 312 OD1 ASN A 21 -10.097 5.812 0.574 1.00 0.00 O ATOM 313 ND2 ASN A 21 -9.620 5.636 -1.548 1.00 0.00 N ATOM 0 H ASN A 21 -6.690 2.618 0.562 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.672 5.186 -0.522 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.430 3.436 -0.826 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.873 3.545 0.866 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -10.263 6.394 -1.776 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.094 5.173 -2.289 1.00 0.00 H new ATOM 320 N ASN A 22 -7.772 5.398 2.577 1.00 0.00 N ATOM 321 CA ASN A 22 -7.896 6.385 3.689 1.00 0.00 C ATOM 322 C ASN A 22 -6.509 6.871 4.119 1.00 0.00 C ATOM 323 O ASN A 22 -6.315 8.031 4.424 1.00 0.00 O ATOM 324 CB ASN A 22 -8.571 5.617 4.827 1.00 0.00 C ATOM 325 CG ASN A 22 -10.069 5.493 4.542 1.00 0.00 C ATOM 326 OD1 ASN A 22 -10.646 6.334 3.883 1.00 0.00 O ATOM 327 ND2 ASN A 22 -10.728 4.470 5.014 1.00 0.00 N ATOM 0 H ASN A 22 -8.138 4.468 2.779 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.467 7.267 3.398 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.126 4.627 4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.412 6.134 5.773 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.727 4.377 4.829 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.244 3.763 5.568 1.00 0.00 H new ATOM 334 N LEU A 23 -5.544 5.993 4.144 1.00 0.00 N ATOM 335 CA LEU A 23 -4.169 6.405 4.554 1.00 0.00 C ATOM 336 C LEU A 23 -3.540 7.288 3.474 1.00 0.00 C ATOM 337 O LEU A 23 -3.097 8.388 3.738 1.00 0.00 O ATOM 338 CB LEU A 23 -3.391 5.097 4.698 1.00 0.00 C ATOM 339 CG LEU A 23 -3.471 4.614 6.148 1.00 0.00 C ATOM 340 CD1 LEU A 23 -2.912 5.692 7.075 1.00 0.00 C ATOM 341 CD2 LEU A 23 -4.930 4.335 6.512 1.00 0.00 C ATOM 0 H LEU A 23 -5.647 5.008 3.899 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.168 6.983 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.802 4.341 4.028 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.350 5.247 4.410 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.887 3.700 6.260 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.969 5.349 8.108 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.872 5.892 6.815 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.496 6.606 6.964 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.988 3.991 7.545 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.514 5.249 6.401 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.329 3.566 5.850 1.00 0.00 H new ATOM 353 N GLY A 24 -3.499 6.815 2.259 1.00 0.00 N ATOM 354 CA GLY A 24 -2.900 7.627 1.165 1.00 0.00 C ATOM 355 C GLY A 24 -1.377 7.637 1.310 1.00 0.00 C ATOM 356 O GLY A 24 -0.755 8.679 1.260 1.00 0.00 O ATOM 0 H GLY A 24 -3.855 5.901 1.977 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.181 7.214 0.196 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.286 8.646 1.201 1.00 0.00 H new ATOM 360 N PRO A 25 -0.827 6.466 1.482 1.00 0.00 N ATOM 361 CA PRO A 25 0.641 6.330 1.632 1.00 0.00 C ATOM 362 C PRO A 25 1.350 6.943 0.424 1.00 0.00 C ATOM 363 O PRO A 25 0.965 6.723 -0.706 1.00 0.00 O ATOM 364 CB PRO A 25 0.881 4.820 1.698 1.00 0.00 C ATOM 365 CG PRO A 25 -0.415 4.177 1.300 1.00 0.00 C ATOM 366 CD PRO A 25 -1.512 5.177 1.547 1.00 0.00 C ATOM 0 HA PRO A 25 1.026 6.843 2.513 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.686 4.523 1.026 1.00 0.00 H new ATOM 0 HB3 PRO A 25 1.175 4.515 2.702 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.392 3.885 0.250 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.586 3.270 1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -2.298 5.103 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.983 5.023 2.518 1.00 0.00 H new ATOM 374 N VAL A 26 2.373 7.719 0.655 1.00 0.00 N ATOM 375 CA VAL A 26 3.103 8.359 -0.478 1.00 0.00 C ATOM 376 C VAL A 26 2.167 9.302 -1.241 1.00 0.00 C ATOM 377 O VAL A 26 2.296 10.508 -1.168 1.00 0.00 O ATOM 378 CB VAL A 26 3.556 7.204 -1.372 1.00 0.00 C ATOM 379 CG1 VAL A 26 4.544 7.725 -2.418 1.00 0.00 C ATOM 380 CG2 VAL A 26 4.240 6.135 -0.516 1.00 0.00 C ATOM 0 H VAL A 26 2.737 7.939 1.582 1.00 0.00 H new ATOM 0 HA VAL A 26 3.948 8.957 -0.138 1.00 0.00 H new ATOM 0 HB VAL A 26 2.690 6.772 -1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.867 6.902 -3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.060 8.488 -3.028 1.00 0.00 H new ATOM 0 HG13 VAL A 26 5.410 8.157 -1.917 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.563 5.311 -1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.106 6.569 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.538 5.763 0.231 1.00 0.00 H new ATOM 390 N LEU A 27 1.224 8.765 -1.967 1.00 0.00 N ATOM 391 CA LEU A 27 0.279 9.632 -2.729 1.00 0.00 C ATOM 392 C LEU A 27 -0.552 10.485 -1.764 1.00 0.00 C ATOM 393 O LEU A 27 -1.403 9.975 -1.062 1.00 0.00 O ATOM 394 CB LEU A 27 -0.620 8.663 -3.495 1.00 0.00 C ATOM 395 CG LEU A 27 -0.514 8.944 -4.994 1.00 0.00 C ATOM 396 CD1 LEU A 27 0.566 8.053 -5.609 1.00 0.00 C ATOM 397 CD2 LEU A 27 -1.859 8.648 -5.664 1.00 0.00 C ATOM 0 H LEU A 27 1.067 7.762 -2.066 1.00 0.00 H new ATOM 0 HA LEU A 27 0.798 10.320 -3.396 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -0.326 7.635 -3.285 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.653 8.772 -3.166 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.251 9.991 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 27 0.640 8.255 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.524 8.262 -5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.305 7.006 -5.455 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.785 8.848 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -2.121 7.601 -5.508 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.630 9.284 -5.229 1.00 0.00 H new ATOM 409 N PRO A 28 -0.272 11.760 -1.764 1.00 0.00 N ATOM 410 CA PRO A 28 -0.993 12.700 -0.880 1.00 0.00 C ATOM 411 C PRO A 28 -2.476 12.769 -1.254 1.00 0.00 C ATOM 412 O PRO A 28 -3.322 12.851 -0.385 1.00 0.00 O ATOM 413 CB PRO A 28 -0.311 14.049 -1.125 1.00 0.00 C ATOM 414 CG PRO A 28 0.956 13.735 -1.859 1.00 0.00 C ATOM 415 CD PRO A 28 0.734 12.437 -2.579 1.00 0.00 C ATOM 0 HA PRO A 28 -0.956 12.397 0.166 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.950 14.710 -1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -0.103 14.559 -0.184 1.00 0.00 H new ATOM 0 HG2 PRO A 28 1.201 14.530 -2.563 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.793 13.654 -1.166 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.382 12.599 -3.598 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.653 11.854 -2.648 1.00 0.00 H new ATOM 423 N PRO A 29 -2.757 12.746 -2.536 1.00 0.00 N ATOM 424 CA PRO A 29 -4.148 12.823 -2.992 1.00 0.00 C ATOM 425 C PRO A 29 -5.080 12.019 -2.078 1.00 0.00 C ATOM 426 O PRO A 29 -4.696 11.015 -1.513 1.00 0.00 O ATOM 427 CB PRO A 29 -4.085 12.229 -4.389 1.00 0.00 C ATOM 428 CG PRO A 29 -2.737 12.620 -4.883 1.00 0.00 C ATOM 429 CD PRO A 29 -1.835 12.653 -3.677 1.00 0.00 C ATOM 0 HA PRO A 29 -4.549 13.837 -2.979 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -4.204 11.146 -4.368 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.875 12.625 -5.027 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.372 11.906 -5.622 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -2.770 13.594 -5.370 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -1.218 11.757 -3.617 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -1.157 13.506 -3.711 1.00 0.00 H new ATOM 437 N THR A 30 -6.302 12.455 -1.935 1.00 0.00 N ATOM 438 CA THR A 30 -7.262 11.721 -1.062 1.00 0.00 C ATOM 439 C THR A 30 -6.672 11.529 0.337 1.00 0.00 C ATOM 440 O THR A 30 -5.902 10.619 0.576 1.00 0.00 O ATOM 441 CB THR A 30 -7.468 10.370 -1.749 1.00 0.00 C ATOM 442 OG1 THR A 30 -7.535 10.563 -3.155 1.00 0.00 O ATOM 443 CG2 THR A 30 -8.769 9.735 -1.256 1.00 0.00 C ATOM 0 H THR A 30 -6.678 13.289 -2.386 1.00 0.00 H new ATOM 0 HA THR A 30 -8.200 12.262 -0.936 1.00 0.00 H new ATOM 0 HB THR A 30 -6.634 9.710 -1.511 1.00 0.00 H new ATOM 0 HG1 THR A 30 -7.665 9.699 -3.598 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.913 8.773 -1.747 1.00 0.00 H new ATOM 0 HG22 THR A 30 -8.716 9.588 -0.177 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.606 10.392 -1.492 1.00 0.00 H new ATOM 451 N ASN A 31 -7.026 12.379 1.261 1.00 0.00 N ATOM 452 CA ASN A 31 -6.488 12.245 2.646 1.00 0.00 C ATOM 453 C ASN A 31 -7.481 12.824 3.656 1.00 0.00 C ATOM 454 O ASN A 31 -7.103 13.445 4.630 1.00 0.00 O ATOM 455 CB ASN A 31 -5.190 13.053 2.651 1.00 0.00 C ATOM 456 CG ASN A 31 -4.447 12.812 3.965 1.00 0.00 C ATOM 457 OD1 ASN A 31 -4.069 11.697 4.267 1.00 0.00 O ATOM 458 ND2 ASN A 31 -4.223 13.816 4.767 1.00 0.00 N ATOM 0 H ASN A 31 -7.665 13.161 1.118 1.00 0.00 H new ATOM 0 HA ASN A 31 -6.320 11.204 2.923 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.564 12.761 1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.409 14.114 2.534 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.731 13.665 5.648 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -4.540 14.752 4.514 1.00 0.00 H new ATOM 465 N VAL A 32 -8.752 12.624 3.432 1.00 0.00 N ATOM 466 CA VAL A 32 -9.772 13.161 4.378 1.00 0.00 C ATOM 467 C VAL A 32 -9.429 12.757 5.816 1.00 0.00 C ATOM 468 O VAL A 32 -9.892 13.358 6.766 1.00 0.00 O ATOM 469 CB VAL A 32 -11.088 12.520 3.939 1.00 0.00 C ATOM 470 CG1 VAL A 32 -10.949 10.997 3.971 1.00 0.00 C ATOM 471 CG2 VAL A 32 -12.207 12.950 4.890 1.00 0.00 C ATOM 0 H VAL A 32 -9.128 12.112 2.634 1.00 0.00 H new ATOM 0 HA VAL A 32 -9.821 14.250 4.361 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.329 12.842 2.926 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -11.887 10.539 3.658 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.152 10.690 3.294 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.708 10.675 4.984 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -13.146 12.493 4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -11.967 12.629 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -12.307 14.035 4.868 1.00 0.00 H new ATOM 481 N GLY A 33 -8.626 11.743 5.984 1.00 0.00 N ATOM 482 CA GLY A 33 -8.257 11.304 7.361 1.00 0.00 C ATOM 483 C GLY A 33 -7.933 12.527 8.219 1.00 0.00 C ATOM 484 O GLY A 33 -6.824 13.024 8.215 1.00 0.00 O ATOM 0 H GLY A 33 -8.209 11.199 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -9.078 10.742 7.807 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.397 10.636 7.322 1.00 0.00 H new ATOM 488 N SER A 34 -8.891 13.015 8.959 1.00 0.00 N ATOM 489 CA SER A 34 -8.634 14.205 9.822 1.00 0.00 C ATOM 490 C SER A 34 -8.599 13.791 11.295 1.00 0.00 C ATOM 491 O SER A 34 -8.570 12.619 11.618 1.00 0.00 O ATOM 492 CB SER A 34 -9.809 15.147 9.557 1.00 0.00 C ATOM 493 OG SER A 34 -10.046 15.220 8.158 1.00 0.00 O ATOM 0 H SER A 34 -9.839 12.642 9.004 1.00 0.00 H new ATOM 0 HA SER A 34 -7.676 14.677 9.602 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.701 14.788 10.070 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.591 16.139 9.953 1.00 0.00 H new ATOM 0 HG SER A 34 -10.458 14.385 7.852 1.00 0.00 H new ATOM 499 N ASN A 35 -8.603 14.740 12.191 1.00 0.00 N ATOM 500 CA ASN A 35 -8.571 14.395 13.640 1.00 0.00 C ATOM 501 C ASN A 35 -9.927 14.692 14.285 1.00 0.00 C ATOM 502 O ASN A 35 -10.637 15.591 13.877 1.00 0.00 O ATOM 503 CB ASN A 35 -7.486 15.290 14.240 1.00 0.00 C ATOM 504 CG ASN A 35 -6.107 14.704 13.931 1.00 0.00 C ATOM 505 OD1 ASN A 35 -5.489 14.094 14.781 1.00 0.00 O ATOM 506 ND2 ASN A 35 -5.597 14.862 12.739 1.00 0.00 N ATOM 0 H ASN A 35 -8.627 15.738 11.982 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.364 13.338 13.806 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.564 16.297 13.831 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.624 15.372 15.318 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.679 14.473 12.521 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.116 15.374 12.026 1.00 0.00 H new ATOM 513 N THR A 36 -10.294 13.944 15.289 1.00 0.00 N ATOM 514 CA THR A 36 -11.604 14.183 15.958 1.00 0.00 C ATOM 515 C THR A 36 -11.528 15.434 16.837 1.00 0.00 C ATOM 516 O THR A 36 -10.505 15.729 17.424 1.00 0.00 O ATOM 517 CB THR A 36 -11.842 12.939 16.815 1.00 0.00 C ATOM 518 OG1 THR A 36 -13.055 13.092 17.539 1.00 0.00 O ATOM 519 CG2 THR A 36 -10.680 12.762 17.794 1.00 0.00 C ATOM 0 H THR A 36 -9.743 13.177 15.675 1.00 0.00 H new ATOM 0 HA THR A 36 -12.410 14.346 15.243 1.00 0.00 H new ATOM 0 HB THR A 36 -11.909 12.061 16.173 1.00 0.00 H new ATOM 0 HG1 THR A 36 -13.564 13.844 17.170 1.00 0.00 H new ATOM 0 HG21 THR A 36 -10.850 11.875 18.404 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.750 12.646 17.238 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.611 13.638 18.439 1.00 0.00 H new ATOM 527 N TYR A 37 -12.602 16.170 16.932 1.00 0.00 N ATOM 528 CA TYR A 37 -12.596 17.403 17.772 1.00 0.00 C ATOM 529 C TYR A 37 -11.847 17.151 19.083 1.00 0.00 C ATOM 530 O TYR A 37 -11.123 18.001 19.562 1.00 0.00 O ATOM 531 CB TYR A 37 -14.070 17.706 18.047 1.00 0.00 C ATOM 532 CG TYR A 37 -14.750 16.468 18.582 1.00 0.00 C ATOM 533 CD1 TYR A 37 -14.780 16.227 19.960 1.00 0.00 C ATOM 534 CD2 TYR A 37 -15.352 15.563 17.700 1.00 0.00 C ATOM 535 CE1 TYR A 37 -15.411 15.080 20.456 1.00 0.00 C ATOM 536 CE2 TYR A 37 -15.983 14.417 18.196 1.00 0.00 C ATOM 537 CZ TYR A 37 -16.013 14.175 19.574 1.00 0.00 C ATOM 538 OH TYR A 37 -16.636 13.046 20.063 1.00 0.00 O ATOM 0 H TYR A 37 -13.486 15.970 16.463 1.00 0.00 H new ATOM 0 HA TYR A 37 -12.095 18.234 17.276 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -14.156 18.520 18.766 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.561 18.036 17.131 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -14.316 16.926 20.641 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -15.329 15.749 16.636 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -15.433 14.893 21.520 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -16.447 13.719 17.515 1.00 0.00 H new ATOM 0 HH TYR A 37 -17.003 12.526 19.318 1.00 0.00 H new HETATM 548 N NH2 A 38 -11.991 16.005 19.690 1.00 0.00 N TER 551 NH2 A 38