USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=11 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 30 THR OG1 : rot 180:sc= -0.132 USER MOD Set 1.2: A 31 ASN : amide:sc= -1.63 K(o=-1.8,f=-4.9!) USER MOD Set 2.1: A 4 THR OG1 : rot 112:sc= 0.137 USER MOD Set 2.2: A 6 THR OG1 : rot 180:sc= 0.0117 USER MOD Single : A 1 LYS N :NH3+ 146:sc= -0.227 (180deg=-0.703) USER MOD Single : A 1 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.362) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.708 K(o=-0.71,f=-2.9!) USER MOD Single : A 14 ASN : amide:sc= 0.387 X(o=0.39,f=-0.0032) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -94:sc= 0.842 USER MOD Single : A 21 ASN : amide:sc= -5.59! C(o=-5.6!,f=-8!) USER MOD Single : A 22 ASN : amide:sc= -0.0075 X(o=-0.0075,f=-0.0075) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -2.05 K(o=-2.1,f=-4.1!) USER MOD Single : A 36 THR OG1 : rot -128:sc= 1.08! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.963 -23.628 -8.518 1.00 0.00 N ATOM 2 CA LYS A 1 1.458 -23.030 -7.244 1.00 0.00 C ATOM 3 C LYS A 1 0.419 -22.060 -6.677 1.00 0.00 C ATOM 4 O LYS A 1 0.748 -21.107 -5.999 1.00 0.00 O ATOM 5 CB LYS A 1 2.737 -22.285 -7.628 1.00 0.00 C ATOM 6 CG LYS A 1 3.945 -22.988 -7.004 1.00 0.00 C ATOM 7 CD LYS A 1 3.879 -24.486 -7.312 1.00 0.00 C ATOM 8 CE LYS A 1 5.286 -25.084 -7.246 1.00 0.00 C ATOM 9 NZ LYS A 1 5.696 -24.943 -5.821 1.00 0.00 N ATOM 0 H1 LYS A 1 1.764 -23.786 -9.162 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.496 -24.535 -8.317 1.00 0.00 H new ATOM 0 H3 LYS A 1 0.283 -22.980 -8.964 1.00 0.00 H new ATOM 0 HA LYS A 1 1.640 -23.782 -6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.841 -22.255 -8.713 1.00 0.00 H new ATOM 0 HB3 LYS A 1 2.686 -21.252 -7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 1 4.869 -22.565 -7.398 1.00 0.00 H new ATOM 0 HG3 LYS A 1 3.956 -22.828 -5.926 1.00 0.00 H new ATOM 0 HD2 LYS A 1 3.226 -24.986 -6.597 1.00 0.00 H new ATOM 0 HD3 LYS A 1 3.451 -24.646 -8.301 1.00 0.00 H new ATOM 0 HE2 LYS A 1 5.286 -26.129 -7.556 1.00 0.00 H new ATOM 0 HE3 LYS A 1 5.971 -24.555 -7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 6.492 -25.583 -5.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 5.988 -23.961 -5.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 4.895 -25.186 -5.204 1.00 0.00 H new ATOM 25 N CYS A 2 -0.835 -22.298 -6.948 1.00 0.00 N ATOM 26 CA CYS A 2 -1.896 -21.392 -6.425 1.00 0.00 C ATOM 27 C CYS A 2 -2.291 -21.806 -5.006 1.00 0.00 C ATOM 28 O CYS A 2 -3.233 -21.293 -4.438 1.00 0.00 O ATOM 29 CB CYS A 2 -3.075 -21.563 -7.383 1.00 0.00 C ATOM 30 SG CYS A 2 -3.815 -19.946 -7.725 1.00 0.00 S ATOM 0 H CYS A 2 -1.171 -23.081 -7.509 1.00 0.00 H new ATOM 0 HA CYS A 2 -1.564 -20.355 -6.372 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -2.739 -22.025 -8.311 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -3.818 -22.230 -6.946 1.00 0.00 H new ATOM 35 N ASN A 3 -1.578 -22.737 -4.431 1.00 0.00 N ATOM 36 CA ASN A 3 -1.914 -23.189 -3.050 1.00 0.00 C ATOM 37 C ASN A 3 -1.332 -22.222 -2.013 1.00 0.00 C ATOM 38 O ASN A 3 -1.302 -22.512 -0.832 1.00 0.00 O ATOM 39 CB ASN A 3 -1.268 -24.568 -2.918 1.00 0.00 C ATOM 40 CG ASN A 3 -2.325 -25.588 -2.490 1.00 0.00 C ATOM 41 OD1 ASN A 3 -2.973 -26.192 -3.321 1.00 0.00 O ATOM 42 ND2 ASN A 3 -2.532 -25.802 -1.220 1.00 0.00 N ATOM 0 H ASN A 3 -0.778 -23.204 -4.858 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.990 -23.222 -2.879 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.824 -24.866 -3.868 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.462 -24.535 -2.185 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -3.238 -26.477 -0.925 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.988 -25.295 -0.522 1.00 0.00 H new ATOM 49 N THR A 4 -0.873 -21.077 -2.438 1.00 0.00 N ATOM 50 CA THR A 4 -0.298 -20.101 -1.469 1.00 0.00 C ATOM 51 C THR A 4 -1.365 -19.093 -1.036 1.00 0.00 C ATOM 52 O THR A 4 -2.549 -19.318 -1.195 1.00 0.00 O ATOM 53 CB THR A 4 0.824 -19.398 -2.233 1.00 0.00 C ATOM 54 OG1 THR A 4 0.301 -18.837 -3.429 1.00 0.00 O ATOM 55 CG2 THR A 4 1.921 -20.406 -2.578 1.00 0.00 C ATOM 0 H THR A 4 -0.871 -20.775 -3.412 1.00 0.00 H new ATOM 0 HA THR A 4 0.067 -20.586 -0.563 1.00 0.00 H new ATOM 0 HB THR A 4 1.244 -18.607 -1.613 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.320 -17.859 -3.367 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.720 -19.902 -3.123 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.322 -20.835 -1.660 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.504 -21.200 -3.198 1.00 0.00 H new ATOM 63 N ALA A 5 -0.954 -17.981 -0.490 1.00 0.00 N ATOM 64 CA ALA A 5 -1.942 -16.955 -0.045 1.00 0.00 C ATOM 65 C ALA A 5 -2.398 -16.104 -1.221 1.00 0.00 C ATOM 66 O ALA A 5 -3.560 -15.817 -1.376 1.00 0.00 O ATOM 67 CB ALA A 5 -1.188 -16.067 0.936 1.00 0.00 C ATOM 0 H ALA A 5 0.024 -17.738 -0.332 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.823 -17.423 0.394 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.853 -15.287 1.306 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.833 -16.669 1.773 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.337 -15.609 0.432 1.00 0.00 H new ATOM 73 N THR A 6 -1.477 -15.678 -2.030 1.00 0.00 N ATOM 74 CA THR A 6 -1.833 -14.806 -3.179 1.00 0.00 C ATOM 75 C THR A 6 -2.967 -15.416 -3.999 1.00 0.00 C ATOM 76 O THR A 6 -3.890 -14.728 -4.373 1.00 0.00 O ATOM 77 CB THR A 6 -0.543 -14.718 -3.985 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.209 -16.011 -4.471 1.00 0.00 O ATOM 79 CG2 THR A 6 0.573 -14.210 -3.071 1.00 0.00 C ATOM 0 H THR A 6 -0.484 -15.897 -1.945 1.00 0.00 H new ATOM 0 HA THR A 6 -2.196 -13.826 -2.870 1.00 0.00 H new ATOM 0 HB THR A 6 -0.670 -14.037 -4.826 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.620 -15.961 -4.992 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.503 -14.142 -3.635 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.309 -13.225 -2.687 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.704 -14.901 -2.238 1.00 0.00 H new ATOM 87 N CYS A 7 -2.944 -16.690 -4.267 1.00 0.00 N ATOM 88 CA CYS A 7 -4.079 -17.272 -5.037 1.00 0.00 C ATOM 89 C CYS A 7 -5.376 -16.818 -4.370 1.00 0.00 C ATOM 90 O CYS A 7 -6.280 -16.311 -5.004 1.00 0.00 O ATOM 91 CB CYS A 7 -3.912 -18.789 -4.932 1.00 0.00 C ATOM 92 SG CYS A 7 -5.002 -19.598 -6.128 1.00 0.00 S ATOM 0 H CYS A 7 -2.208 -17.342 -3.995 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.101 -16.962 -6.082 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.875 -19.066 -5.123 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.150 -19.123 -3.922 1.00 0.00 H new ATOM 97 N ALA A 8 -5.446 -16.975 -3.077 1.00 0.00 N ATOM 98 CA ALA A 8 -6.648 -16.533 -2.315 1.00 0.00 C ATOM 99 C ALA A 8 -6.629 -15.022 -2.154 1.00 0.00 C ATOM 100 O ALA A 8 -7.566 -14.319 -2.462 1.00 0.00 O ATOM 101 CB ALA A 8 -6.447 -17.149 -0.939 1.00 0.00 C ATOM 0 H ALA A 8 -4.711 -17.396 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.579 -16.820 -2.804 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.285 -16.882 -0.295 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.391 -18.234 -1.031 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.521 -16.774 -0.504 1.00 0.00 H new ATOM 107 N THR A 9 -5.537 -14.552 -1.643 1.00 0.00 N ATOM 108 CA THR A 9 -5.333 -13.111 -1.385 1.00 0.00 C ATOM 109 C THR A 9 -5.463 -12.295 -2.677 1.00 0.00 C ATOM 110 O THR A 9 -5.629 -11.092 -2.662 1.00 0.00 O ATOM 111 CB THR A 9 -3.916 -13.070 -0.822 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.945 -13.479 0.541 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.323 -11.662 -0.913 1.00 0.00 C ATOM 0 H THR A 9 -4.742 -15.136 -1.382 1.00 0.00 H new ATOM 0 HA THR A 9 -6.070 -12.677 -0.709 1.00 0.00 H new ATOM 0 HB THR A 9 -3.292 -13.743 -1.410 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.037 -13.457 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.313 -11.666 -0.504 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.291 -11.347 -1.956 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.942 -10.969 -0.344 1.00 0.00 H new ATOM 121 N GLN A 10 -5.372 -12.925 -3.801 1.00 0.00 N ATOM 122 CA GLN A 10 -5.476 -12.152 -5.061 1.00 0.00 C ATOM 123 C GLN A 10 -6.728 -11.281 -5.005 1.00 0.00 C ATOM 124 O GLN A 10 -6.763 -10.189 -5.539 1.00 0.00 O ATOM 125 CB GLN A 10 -5.576 -13.190 -6.179 1.00 0.00 C ATOM 126 CG GLN A 10 -4.648 -12.784 -7.326 1.00 0.00 C ATOM 127 CD GLN A 10 -3.459 -13.747 -7.383 1.00 0.00 C ATOM 128 OE1 GLN A 10 -3.606 -14.927 -7.132 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.278 -13.290 -7.701 1.00 0.00 N ATOM 0 H GLN A 10 -5.232 -13.930 -3.907 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.623 -11.493 -5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.300 -14.175 -5.803 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.604 -13.261 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.191 -12.802 -8.271 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.296 -11.763 -7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.154 -12.300 -7.912 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.479 -13.923 -7.739 1.00 0.00 H new ATOM 138 N ARG A 11 -7.754 -11.746 -4.347 1.00 0.00 N ATOM 139 CA ARG A 11 -8.995 -10.930 -4.242 1.00 0.00 C ATOM 140 C ARG A 11 -8.876 -9.913 -3.095 1.00 0.00 C ATOM 141 O ARG A 11 -9.205 -8.758 -3.257 1.00 0.00 O ATOM 142 CB ARG A 11 -10.134 -11.926 -3.989 1.00 0.00 C ATOM 143 CG ARG A 11 -9.822 -12.815 -2.783 1.00 0.00 C ATOM 144 CD ARG A 11 -10.750 -12.438 -1.627 1.00 0.00 C ATOM 145 NE ARG A 11 -12.117 -12.766 -2.118 1.00 0.00 N ATOM 146 CZ ARG A 11 -13.101 -12.914 -1.273 1.00 0.00 C ATOM 147 NH1 ARG A 11 -12.893 -12.773 0.008 1.00 0.00 N ATOM 148 NH2 ARG A 11 -14.295 -13.203 -1.711 1.00 0.00 N ATOM 0 H ARG A 11 -7.786 -12.652 -3.879 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.177 -10.352 -5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.064 -11.385 -3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.285 -12.545 -4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.956 -13.864 -3.045 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.781 -12.691 -2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.508 -13.000 -0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.662 -11.381 -1.377 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.285 -12.875 -3.118 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.960 -12.547 0.351 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.664 -12.889 0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -14.458 -13.313 -2.712 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.065 -13.319 -1.053 1.00 0.00 H new ATOM 162 N LEU A 12 -8.407 -10.319 -1.938 1.00 0.00 N ATOM 163 CA LEU A 12 -8.272 -9.349 -0.811 1.00 0.00 C ATOM 164 C LEU A 12 -7.092 -8.457 -1.029 1.00 0.00 C ATOM 165 O LEU A 12 -7.040 -7.364 -0.508 1.00 0.00 O ATOM 166 CB LEU A 12 -8.180 -10.191 0.481 1.00 0.00 C ATOM 167 CG LEU A 12 -6.755 -10.260 1.072 1.00 0.00 C ATOM 168 CD1 LEU A 12 -5.782 -10.720 0.022 1.00 0.00 C ATOM 169 CD2 LEU A 12 -6.286 -8.916 1.572 1.00 0.00 C ATOM 0 H LEU A 12 -8.115 -11.274 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.126 -8.675 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.854 -9.771 1.227 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.527 -11.203 0.271 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.794 -10.961 1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.780 -10.765 0.449 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.070 -11.710 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.789 -10.019 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.279 -9.010 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.278 -8.203 0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.961 -8.562 2.351 1.00 0.00 H new ATOM 181 N ALA A 13 -6.156 -8.872 -1.808 1.00 0.00 N ATOM 182 CA ALA A 13 -5.008 -7.987 -2.055 1.00 0.00 C ATOM 183 C ALA A 13 -5.547 -6.600 -2.261 1.00 0.00 C ATOM 184 O ALA A 13 -5.028 -5.624 -1.778 1.00 0.00 O ATOM 185 CB ALA A 13 -4.415 -8.507 -3.343 1.00 0.00 C ATOM 0 H ALA A 13 -6.133 -9.775 -2.281 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.275 -7.965 -1.248 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.546 -7.906 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.111 -9.545 -3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.159 -8.445 -4.137 1.00 0.00 H new ATOM 191 N ASN A 14 -6.648 -6.573 -2.931 1.00 0.00 N ATOM 192 CA ASN A 14 -7.373 -5.326 -3.205 1.00 0.00 C ATOM 193 C ASN A 14 -7.794 -4.665 -1.892 1.00 0.00 C ATOM 194 O ASN A 14 -7.603 -3.489 -1.670 1.00 0.00 O ATOM 195 CB ASN A 14 -8.600 -5.836 -3.942 1.00 0.00 C ATOM 196 CG ASN A 14 -8.233 -6.189 -5.381 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.013 -5.319 -6.201 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.154 -7.447 -5.721 1.00 0.00 N ATOM 0 H ASN A 14 -7.093 -7.406 -3.317 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.793 -4.585 -3.756 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.001 -6.713 -3.434 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.382 -5.077 -3.933 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.907 -7.702 -6.677 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.339 -8.175 -5.030 1.00 0.00 H new ATOM 205 N PHE A 15 -8.365 -5.447 -1.028 1.00 0.00 N ATOM 206 CA PHE A 15 -8.829 -4.949 0.293 1.00 0.00 C ATOM 207 C PHE A 15 -7.677 -4.241 0.997 1.00 0.00 C ATOM 208 O PHE A 15 -7.851 -3.276 1.713 1.00 0.00 O ATOM 209 CB PHE A 15 -9.256 -6.261 0.992 1.00 0.00 C ATOM 210 CG PHE A 15 -8.760 -6.413 2.412 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.684 -5.337 3.291 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.414 -7.689 2.849 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.248 -5.546 4.604 1.00 0.00 C ATOM 214 CE2 PHE A 15 -7.985 -7.907 4.150 1.00 0.00 C ATOM 215 CZ PHE A 15 -7.898 -6.833 5.037 1.00 0.00 C ATOM 0 H PHE A 15 -8.535 -6.440 -1.186 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.636 -4.216 0.268 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.345 -6.317 0.994 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.894 -7.104 0.403 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.960 -4.346 2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.481 -8.522 2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.181 -4.712 5.287 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.720 -8.902 4.475 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.563 -6.992 6.051 1.00 0.00 H new ATOM 225 N LEU A 16 -6.505 -4.731 0.798 1.00 0.00 N ATOM 226 CA LEU A 16 -5.314 -4.145 1.453 1.00 0.00 C ATOM 227 C LEU A 16 -4.662 -3.054 0.609 1.00 0.00 C ATOM 228 O LEU A 16 -4.420 -1.960 1.075 1.00 0.00 O ATOM 229 CB LEU A 16 -4.421 -5.360 1.562 1.00 0.00 C ATOM 230 CG LEU A 16 -5.064 -6.332 2.530 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.123 -7.505 2.795 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.388 -5.619 3.843 1.00 0.00 C ATOM 0 H LEU A 16 -6.311 -5.531 0.196 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.532 -3.649 2.399 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.291 -5.826 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.430 -5.073 1.913 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.987 -6.711 2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.593 -8.199 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.911 -8.020 1.858 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.192 -7.135 3.224 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.850 -6.323 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.469 -5.229 4.282 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.076 -4.796 3.650 1.00 0.00 H new ATOM 244 N VAL A 17 -4.373 -3.336 -0.622 1.00 0.00 N ATOM 245 CA VAL A 17 -3.735 -2.304 -1.478 1.00 0.00 C ATOM 246 C VAL A 17 -4.706 -1.143 -1.649 1.00 0.00 C ATOM 247 O VAL A 17 -4.322 0.009 -1.676 1.00 0.00 O ATOM 248 CB VAL A 17 -3.435 -3.020 -2.791 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.340 -4.057 -2.533 1.00 0.00 C ATOM 250 CG2 VAL A 17 -4.690 -3.735 -3.293 1.00 0.00 C ATOM 0 H VAL A 17 -4.549 -4.233 -1.075 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.821 -1.882 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.112 -2.297 -3.541 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.110 -4.581 -3.460 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.444 -3.556 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.685 -4.773 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.468 -4.244 -4.231 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.014 -4.465 -2.552 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.484 -3.006 -3.455 1.00 0.00 H new ATOM 260 N ARG A 18 -5.968 -1.441 -1.716 1.00 0.00 N ATOM 261 CA ARG A 18 -6.981 -0.366 -1.830 1.00 0.00 C ATOM 262 C ARG A 18 -7.118 0.310 -0.465 1.00 0.00 C ATOM 263 O ARG A 18 -7.646 1.397 -0.341 1.00 0.00 O ATOM 264 CB ARG A 18 -8.264 -1.098 -2.206 1.00 0.00 C ATOM 265 CG ARG A 18 -9.328 -0.087 -2.641 1.00 0.00 C ATOM 266 CD ARG A 18 -10.511 -0.830 -3.268 1.00 0.00 C ATOM 267 NE ARG A 18 -11.318 0.227 -3.942 1.00 0.00 N ATOM 268 CZ ARG A 18 -12.117 0.990 -3.243 1.00 0.00 C ATOM 269 NH1 ARG A 18 -12.206 0.841 -1.949 1.00 0.00 N ATOM 270 NH2 ARG A 18 -12.829 1.905 -3.842 1.00 0.00 N ATOM 0 H ARG A 18 -6.343 -2.389 -1.697 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.731 0.405 -2.559 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.068 -1.804 -3.013 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.625 -1.678 -1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.664 0.496 -1.783 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.905 0.617 -3.358 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.172 -1.582 -3.981 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -11.097 -1.350 -2.510 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.247 0.355 -4.951 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.651 0.127 -1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.831 1.439 -1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.761 2.023 -4.853 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.453 2.502 -3.299 1.00 0.00 H new ATOM 284 N SER A 19 -6.630 -0.339 0.563 1.00 0.00 N ATOM 285 CA SER A 19 -6.709 0.243 1.930 1.00 0.00 C ATOM 286 C SER A 19 -6.107 1.649 1.933 1.00 0.00 C ATOM 287 O SER A 19 -6.479 2.493 2.726 1.00 0.00 O ATOM 288 CB SER A 19 -5.877 -0.694 2.805 1.00 0.00 C ATOM 289 OG SER A 19 -6.173 -0.446 4.174 1.00 0.00 O ATOM 0 H SER A 19 -6.178 -1.252 0.509 1.00 0.00 H new ATOM 0 HA SER A 19 -7.735 0.331 2.287 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.096 -1.732 2.556 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.815 -0.538 2.617 1.00 0.00 H new ATOM 0 HG SER A 19 -5.642 -1.047 4.738 1.00 0.00 H new ATOM 295 N SER A 20 -5.178 1.904 1.050 1.00 0.00 N ATOM 296 CA SER A 20 -4.544 3.253 0.993 1.00 0.00 C ATOM 297 C SER A 20 -5.603 4.340 1.193 1.00 0.00 C ATOM 298 O SER A 20 -5.372 5.331 1.857 1.00 0.00 O ATOM 299 CB SER A 20 -3.942 3.349 -0.407 1.00 0.00 C ATOM 300 OG SER A 20 -4.860 2.813 -1.350 1.00 0.00 O ATOM 0 H SER A 20 -4.830 1.234 0.364 1.00 0.00 H new ATOM 0 HA SER A 20 -3.793 3.390 1.771 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.719 4.388 -0.649 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.000 2.803 -0.449 1.00 0.00 H new ATOM 0 HG SER A 20 -4.654 1.868 -1.506 1.00 0.00 H new ATOM 306 N ASN A 21 -6.765 4.158 0.628 1.00 0.00 N ATOM 307 CA ASN A 21 -7.839 5.178 0.793 1.00 0.00 C ATOM 308 C ASN A 21 -7.896 5.636 2.252 1.00 0.00 C ATOM 309 O ASN A 21 -8.095 6.798 2.545 1.00 0.00 O ATOM 310 CB ASN A 21 -9.129 4.454 0.400 1.00 0.00 C ATOM 311 CG ASN A 21 -10.337 5.335 0.727 1.00 0.00 C ATOM 312 OD1 ASN A 21 -10.410 5.917 1.791 1.00 0.00 O ATOM 313 ND2 ASN A 21 -11.298 5.457 -0.149 1.00 0.00 N ATOM 0 H ASN A 21 -7.017 3.349 0.060 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.674 6.068 0.185 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.116 4.219 -0.664 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.203 3.507 0.934 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.108 6.040 0.061 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.238 4.969 -1.043 1.00 0.00 H new ATOM 320 N ASN A 22 -7.715 4.725 3.171 1.00 0.00 N ATOM 321 CA ASN A 22 -7.749 5.096 4.616 1.00 0.00 C ATOM 322 C ASN A 22 -6.493 5.892 4.989 1.00 0.00 C ATOM 323 O ASN A 22 -6.478 6.631 5.953 1.00 0.00 O ATOM 324 CB ASN A 22 -7.783 3.759 5.362 1.00 0.00 C ATOM 325 CG ASN A 22 -7.384 3.973 6.824 1.00 0.00 C ATOM 326 OD1 ASN A 22 -6.388 3.444 7.277 1.00 0.00 O ATOM 327 ND2 ASN A 22 -8.122 4.731 7.586 1.00 0.00 N ATOM 0 H ASN A 22 -7.545 3.737 2.983 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.604 5.724 4.864 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -8.782 3.327 5.307 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.103 3.051 4.889 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -7.863 4.880 8.561 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.958 5.175 7.207 1.00 0.00 H new ATOM 334 N LEU A 23 -5.434 5.741 4.238 1.00 0.00 N ATOM 335 CA LEU A 23 -4.180 6.483 4.559 1.00 0.00 C ATOM 336 C LEU A 23 -3.624 7.179 3.311 1.00 0.00 C ATOM 337 O LEU A 23 -2.430 7.340 3.165 1.00 0.00 O ATOM 338 CB LEU A 23 -3.204 5.412 5.049 1.00 0.00 C ATOM 339 CG LEU A 23 -3.118 4.284 4.020 1.00 0.00 C ATOM 340 CD1 LEU A 23 -1.655 3.882 3.826 1.00 0.00 C ATOM 341 CD2 LEU A 23 -3.915 3.078 4.522 1.00 0.00 C ATOM 0 H LEU A 23 -5.383 5.137 3.418 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.348 7.263 5.302 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.218 5.849 5.207 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.535 5.017 6.009 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.530 4.624 3.070 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.593 3.078 3.093 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.085 4.741 3.472 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.243 3.540 4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.855 2.272 3.790 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.501 2.738 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.957 3.364 4.663 1.00 0.00 H new ATOM 353 N GLY A 24 -4.475 7.594 2.412 1.00 0.00 N ATOM 354 CA GLY A 24 -3.973 8.277 1.185 1.00 0.00 C ATOM 355 C GLY A 24 -5.153 8.739 0.325 1.00 0.00 C ATOM 356 O GLY A 24 -5.783 9.735 0.620 1.00 0.00 O ATOM 0 H GLY A 24 -5.488 7.491 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.356 9.132 1.461 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.339 7.598 0.614 1.00 0.00 H new ATOM 360 N PRO A 25 -5.409 7.995 -0.716 1.00 0.00 N ATOM 361 CA PRO A 25 -6.519 8.329 -1.636 1.00 0.00 C ATOM 362 C PRO A 25 -7.802 8.596 -0.848 1.00 0.00 C ATOM 363 O PRO A 25 -7.990 8.094 0.242 1.00 0.00 O ATOM 364 CB PRO A 25 -6.667 7.086 -2.523 1.00 0.00 C ATOM 365 CG PRO A 25 -5.704 6.066 -1.986 1.00 0.00 C ATOM 366 CD PRO A 25 -4.701 6.788 -1.128 1.00 0.00 C ATOM 0 HA PRO A 25 -6.325 9.229 -2.220 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -7.689 6.708 -2.495 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -6.443 7.322 -3.563 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -6.232 5.311 -1.403 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.204 5.546 -2.803 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -4.401 6.187 -0.270 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -3.794 7.025 -1.684 1.00 0.00 H new ATOM 374 N VAL A 26 -8.681 9.391 -1.392 1.00 0.00 N ATOM 375 CA VAL A 26 -9.951 9.700 -0.676 1.00 0.00 C ATOM 376 C VAL A 26 -9.654 10.108 0.771 1.00 0.00 C ATOM 377 O VAL A 26 -9.910 9.366 1.698 1.00 0.00 O ATOM 378 CB VAL A 26 -10.759 8.403 -0.715 1.00 0.00 C ATOM 379 CG1 VAL A 26 -12.167 8.663 -0.177 1.00 0.00 C ATOM 380 CG2 VAL A 26 -10.853 7.902 -2.158 1.00 0.00 C ATOM 0 H VAL A 26 -8.575 9.840 -2.302 1.00 0.00 H new ATOM 0 HA VAL A 26 -10.493 10.527 -1.135 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.266 7.651 -0.099 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.744 7.738 -0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.104 9.020 0.851 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -12.659 9.416 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.429 6.977 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -11.346 8.655 -2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.851 7.717 -2.545 1.00 0.00 H new ATOM 390 N LEU A 27 -9.112 11.280 0.969 1.00 0.00 N ATOM 391 CA LEU A 27 -8.799 11.730 2.356 1.00 0.00 C ATOM 392 C LEU A 27 -8.444 13.220 2.370 1.00 0.00 C ATOM 393 O LEU A 27 -7.288 13.585 2.286 1.00 0.00 O ATOM 394 CB LEU A 27 -7.592 10.894 2.780 1.00 0.00 C ATOM 395 CG LEU A 27 -7.596 10.731 4.299 1.00 0.00 C ATOM 396 CD1 LEU A 27 -8.722 9.780 4.707 1.00 0.00 C ATOM 397 CD2 LEU A 27 -6.252 10.155 4.753 1.00 0.00 C ATOM 0 H LEU A 27 -8.873 11.944 0.232 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.647 11.600 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.625 9.917 2.298 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -6.670 11.377 2.457 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.753 11.702 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.725 9.663 5.791 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.679 10.189 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.566 8.809 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.254 10.038 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.095 9.184 4.284 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.449 10.832 4.462 1.00 0.00 H new ATOM 409 N PRO A 28 -9.459 14.034 2.480 1.00 0.00 N ATOM 410 CA PRO A 28 -9.260 15.497 2.511 1.00 0.00 C ATOM 411 C PRO A 28 -8.439 15.893 3.738 1.00 0.00 C ATOM 412 O PRO A 28 -7.587 16.756 3.654 1.00 0.00 O ATOM 413 CB PRO A 28 -10.676 16.072 2.598 1.00 0.00 C ATOM 414 CG PRO A 28 -11.592 14.941 2.252 1.00 0.00 C ATOM 415 CD PRO A 28 -10.869 13.669 2.585 1.00 0.00 C ATOM 0 HA PRO A 28 -8.718 15.866 1.641 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -10.884 16.453 3.598 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -10.804 16.905 1.907 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -12.523 15.013 2.815 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.856 14.969 1.195 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.118 13.317 3.586 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.128 12.868 1.892 1.00 0.00 H new ATOM 423 N PRO A 29 -8.718 15.258 4.851 1.00 0.00 N ATOM 424 CA PRO A 29 -7.992 15.573 6.086 1.00 0.00 C ATOM 425 C PRO A 29 -6.499 15.777 5.807 1.00 0.00 C ATOM 426 O PRO A 29 -5.841 14.925 5.244 1.00 0.00 O ATOM 427 CB PRO A 29 -8.234 14.348 6.953 1.00 0.00 C ATOM 428 CG PRO A 29 -9.588 13.883 6.544 1.00 0.00 C ATOM 429 CD PRO A 29 -9.721 14.209 5.081 1.00 0.00 C ATOM 0 HA PRO A 29 -8.325 16.497 6.558 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -7.479 13.581 6.781 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -8.200 14.596 8.014 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -9.700 12.812 6.716 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.363 14.382 7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -9.531 13.334 4.459 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -10.725 14.559 4.841 1.00 0.00 H new ATOM 437 N THR A 30 -5.963 16.902 6.196 1.00 0.00 N ATOM 438 CA THR A 30 -4.513 17.158 5.953 1.00 0.00 C ATOM 439 C THR A 30 -3.756 17.244 7.281 1.00 0.00 C ATOM 440 O THR A 30 -4.332 17.115 8.344 1.00 0.00 O ATOM 441 CB THR A 30 -4.466 18.500 5.220 1.00 0.00 C ATOM 442 OG1 THR A 30 -3.123 18.798 4.864 1.00 0.00 O ATOM 443 CG2 THR A 30 -5.010 19.602 6.132 1.00 0.00 C ATOM 0 H THR A 30 -6.464 17.653 6.670 1.00 0.00 H new ATOM 0 HA THR A 30 -4.045 16.360 5.376 1.00 0.00 H new ATOM 0 HB THR A 30 -5.077 18.443 4.319 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.092 19.657 4.393 1.00 0.00 H new ATOM 0 HG21 THR A 30 -4.976 20.557 5.608 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.041 19.374 6.404 1.00 0.00 H new ATOM 0 HG23 THR A 30 -4.401 19.661 7.034 1.00 0.00 H new ATOM 451 N ASN A 31 -2.468 17.459 7.229 1.00 0.00 N ATOM 452 CA ASN A 31 -1.673 17.551 8.489 1.00 0.00 C ATOM 453 C ASN A 31 -1.820 18.945 9.108 1.00 0.00 C ATOM 454 O ASN A 31 -2.202 19.891 8.448 1.00 0.00 O ATOM 455 CB ASN A 31 -0.226 17.299 8.064 1.00 0.00 C ATOM 456 CG ASN A 31 0.149 18.254 6.929 1.00 0.00 C ATOM 457 OD1 ASN A 31 -0.624 19.118 6.565 1.00 0.00 O ATOM 458 ND2 ASN A 31 1.313 18.134 6.350 1.00 0.00 N ATOM 0 H ASN A 31 -1.932 17.575 6.369 1.00 0.00 H new ATOM 0 HA ASN A 31 -2.006 16.836 9.241 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.443 17.445 8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.107 16.266 7.738 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.573 18.765 5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 31 1.962 17.409 6.655 1.00 0.00 H new ATOM 465 N VAL A 32 -1.524 19.077 10.373 1.00 0.00 N ATOM 466 CA VAL A 32 -1.653 20.408 11.035 1.00 0.00 C ATOM 467 C VAL A 32 -0.298 21.121 11.078 1.00 0.00 C ATOM 468 O VAL A 32 -0.227 22.329 11.178 1.00 0.00 O ATOM 469 CB VAL A 32 -2.140 20.098 12.451 1.00 0.00 C ATOM 470 CG1 VAL A 32 -2.054 21.360 13.309 1.00 0.00 C ATOM 471 CG2 VAL A 32 -3.591 19.617 12.396 1.00 0.00 C ATOM 0 H VAL A 32 -1.199 18.322 10.976 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.337 21.067 10.500 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.514 19.320 12.888 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -2.401 21.138 14.318 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.020 21.704 13.348 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.679 22.139 12.873 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.939 19.396 13.405 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.216 20.396 11.959 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.653 18.716 11.785 1.00 0.00 H new ATOM 481 N GLY A 33 0.778 20.386 11.003 1.00 0.00 N ATOM 482 CA GLY A 33 2.121 21.031 11.041 1.00 0.00 C ATOM 483 C GLY A 33 3.161 20.096 10.421 1.00 0.00 C ATOM 484 O GLY A 33 4.329 20.151 10.746 1.00 0.00 O ATOM 0 H GLY A 33 0.785 19.370 10.917 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.097 21.975 10.497 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.394 21.263 12.070 1.00 0.00 H new ATOM 488 N SER A 34 2.745 19.240 9.528 1.00 0.00 N ATOM 489 CA SER A 34 3.711 18.304 8.885 1.00 0.00 C ATOM 490 C SER A 34 4.355 17.396 9.938 1.00 0.00 C ATOM 491 O SER A 34 4.777 17.846 10.984 1.00 0.00 O ATOM 492 CB SER A 34 4.764 19.204 8.240 1.00 0.00 C ATOM 493 OG SER A 34 4.742 19.016 6.831 1.00 0.00 O ATOM 0 H SER A 34 1.778 19.148 9.216 1.00 0.00 H new ATOM 0 HA SER A 34 3.229 17.652 8.157 1.00 0.00 H new ATOM 0 HB2 SER A 34 4.565 20.248 8.482 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.752 18.968 8.635 1.00 0.00 H new ATOM 0 HG SER A 34 5.415 19.593 6.413 1.00 0.00 H new ATOM 499 N ASN A 35 4.431 16.121 9.667 1.00 0.00 N ATOM 500 CA ASN A 35 5.048 15.184 10.650 1.00 0.00 C ATOM 501 C ASN A 35 5.518 13.911 9.940 1.00 0.00 C ATOM 502 O ASN A 35 4.944 13.491 8.954 1.00 0.00 O ATOM 503 CB ASN A 35 3.933 14.864 11.646 1.00 0.00 C ATOM 504 CG ASN A 35 2.680 14.426 10.886 1.00 0.00 C ATOM 505 OD1 ASN A 35 2.753 14.051 9.732 1.00 0.00 O ATOM 506 ND2 ASN A 35 1.522 14.458 11.489 1.00 0.00 N ATOM 0 H ASN A 35 4.093 15.688 8.808 1.00 0.00 H new ATOM 0 HA ASN A 35 5.920 15.614 11.142 1.00 0.00 H new ATOM 0 HB2 ASN A 35 4.254 14.074 12.326 1.00 0.00 H new ATOM 0 HB3 ASN A 35 3.713 15.740 12.256 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.680 14.168 10.992 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.460 14.772 12.457 1.00 0.00 H new ATOM 513 N THR A 36 6.558 13.294 10.432 1.00 0.00 N ATOM 514 CA THR A 36 7.064 12.052 9.782 1.00 0.00 C ATOM 515 C THR A 36 7.252 10.943 10.831 1.00 0.00 C ATOM 516 O THR A 36 6.295 10.438 11.382 1.00 0.00 O ATOM 517 CB THR A 36 8.400 12.452 9.153 1.00 0.00 C ATOM 518 OG1 THR A 36 9.122 11.283 8.791 1.00 0.00 O ATOM 519 CG2 THR A 36 9.217 13.267 10.159 1.00 0.00 C ATOM 0 H THR A 36 7.079 13.596 11.255 1.00 0.00 H new ATOM 0 HA THR A 36 6.373 11.658 9.037 1.00 0.00 H new ATOM 0 HB THR A 36 8.216 13.055 8.264 1.00 0.00 H new ATOM 0 HG1 THR A 36 10.025 11.327 9.168 1.00 0.00 H new ATOM 0 HG21 THR A 36 10.169 13.551 9.710 1.00 0.00 H new ATOM 0 HG22 THR A 36 8.664 14.165 10.435 1.00 0.00 H new ATOM 0 HG23 THR A 36 9.401 12.666 11.050 1.00 0.00 H new ATOM 527 N TYR A 37 8.471 10.557 11.111 1.00 0.00 N ATOM 528 CA TYR A 37 8.698 9.481 12.121 1.00 0.00 C ATOM 529 C TYR A 37 7.907 9.775 13.399 1.00 0.00 C ATOM 530 O TYR A 37 8.080 10.807 14.015 1.00 0.00 O ATOM 531 CB TYR A 37 10.200 9.515 12.398 1.00 0.00 C ATOM 532 CG TYR A 37 10.951 9.269 11.113 1.00 0.00 C ATOM 533 CD1 TYR A 37 11.109 7.963 10.633 1.00 0.00 C ATOM 534 CD2 TYR A 37 11.490 10.347 10.399 1.00 0.00 C ATOM 535 CE1 TYR A 37 11.804 7.735 9.440 1.00 0.00 C ATOM 536 CE2 TYR A 37 12.185 10.118 9.206 1.00 0.00 C ATOM 537 CZ TYR A 37 12.344 8.812 8.727 1.00 0.00 C ATOM 538 OH TYR A 37 13.029 8.588 7.550 1.00 0.00 O ATOM 0 H TYR A 37 9.316 10.939 10.685 1.00 0.00 H new ATOM 0 HA TYR A 37 8.369 8.504 11.766 1.00 0.00 H new ATOM 0 HB2 TYR A 37 10.482 10.481 12.818 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.462 8.757 13.136 1.00 0.00 H new ATOM 0 HD1 TYR A 37 10.694 7.132 11.184 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.369 11.354 10.769 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.924 6.728 9.069 1.00 0.00 H new ATOM 0 HE2 TYR A 37 12.599 10.949 8.655 1.00 0.00 H new ATOM 0 HH TYR A 37 13.337 9.443 7.183 1.00 0.00 H new HETATM 548 N NH2 A 38 7.039 8.900 13.827 1.00 0.00 N TER 551 NH2 A 38