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 35 ASN : amide:sc= -0.613 K(o=-0.61,f=-2.5!) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 LYS N :NH3+ -118:sc= 0.0412 (180deg=-0.522) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN :FLIP amide:sc= -2.05 F(o=-3!,f=-2.1) USER MOD Single : A 4 THR OG1 : rot 68:sc= 0.171! USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 9 THR OG1 : rot 87:sc= 0.0153 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.0945 X(o=0.094,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.402 X(o=-0.4,f=-0.24) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 31 ASN : amide:sc= -3.64! C(o=-3.6!,f=-11!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -7.667 -20.976 -0.735 1.00 0.00 N ATOM 2 CA LYS A 1 -6.507 -20.630 -1.608 1.00 0.00 C ATOM 3 C LYS A 1 -6.159 -21.811 -2.521 1.00 0.00 C ATOM 4 O LYS A 1 -6.650 -22.909 -2.346 1.00 0.00 O ATOM 5 CB LYS A 1 -5.358 -20.338 -0.641 1.00 0.00 C ATOM 6 CG LYS A 1 -4.811 -21.652 -0.077 1.00 0.00 C ATOM 7 CD LYS A 1 -3.845 -21.355 1.070 1.00 0.00 C ATOM 8 CE LYS A 1 -4.628 -20.835 2.277 1.00 0.00 C ATOM 9 NZ LYS A 1 -3.916 -19.594 2.691 1.00 0.00 N ATOM 0 H1 LYS A 1 -8.459 -20.335 -0.940 1.00 0.00 H new ATOM 0 H2 LYS A 1 -7.959 -21.957 -0.919 1.00 0.00 H new ATOM 0 H3 LYS A 1 -7.392 -20.878 0.263 1.00 0.00 H new ATOM 0 HA LYS A 1 -6.717 -19.781 -2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -4.566 -19.795 -1.156 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -5.707 -19.700 0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -5.631 -22.277 0.277 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -4.300 -22.211 -0.861 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -3.297 -22.258 1.340 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -3.108 -20.616 0.756 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -5.665 -20.626 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -4.644 -21.569 3.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -4.394 -19.178 3.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -2.933 -19.825 2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -3.923 -18.912 1.906 1.00 0.00 H new ATOM 25 N CYS A 2 -5.314 -21.593 -3.492 1.00 0.00 N ATOM 26 CA CYS A 2 -4.934 -22.705 -4.416 1.00 0.00 C ATOM 27 C CYS A 2 -3.641 -23.360 -3.924 1.00 0.00 C ATOM 28 O CYS A 2 -3.575 -24.555 -3.717 1.00 0.00 O ATOM 29 CB CYS A 2 -4.698 -22.064 -5.796 1.00 0.00 C ATOM 30 SG CYS A 2 -5.727 -20.587 -6.018 1.00 0.00 S ATOM 0 H CYS A 2 -4.870 -20.696 -3.687 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.710 -23.469 -4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.646 -21.797 -5.901 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.923 -22.788 -6.579 1.00 0.00 H new ATOM 35 N ASN A 3 -2.614 -22.577 -3.741 1.00 0.00 N ATOM 36 CA ASN A 3 -1.318 -23.135 -3.265 1.00 0.00 C ATOM 37 C ASN A 3 -0.716 -22.211 -2.204 1.00 0.00 C ATOM 38 O ASN A 3 -0.280 -22.648 -1.159 1.00 0.00 O ATOM 39 CB ASN A 3 -0.429 -23.179 -4.509 1.00 0.00 C ATOM 40 CG ASN A 3 -1.184 -23.863 -5.651 1.00 0.00 C ATOM 41 OD1 ASN A 3 -1.862 -24.952 -5.409 1.00 0.00 O flip ATOM 42 ND2 ASN A 3 -1.156 -23.404 -6.775 1.00 0.00 N flip ATOM 0 H ASN A 3 -2.617 -21.570 -3.902 1.00 0.00 H new ATOM 0 HA ASN A 3 -1.426 -24.119 -2.809 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -0.144 -22.168 -4.801 1.00 0.00 H new ATOM 0 HB3 ASN A 3 0.492 -23.720 -4.292 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.627 -22.553 -6.965 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.662 -23.869 -7.529 1.00 0.00 H new ATOM 49 N THR A 4 -0.697 -20.932 -2.469 1.00 0.00 N ATOM 50 CA THR A 4 -0.131 -19.970 -1.480 1.00 0.00 C ATOM 51 C THR A 4 -1.211 -18.980 -1.036 1.00 0.00 C ATOM 52 O THR A 4 -2.392 -19.221 -1.196 1.00 0.00 O ATOM 53 CB THR A 4 0.988 -19.243 -2.229 1.00 0.00 C ATOM 54 OG1 THR A 4 1.380 -18.092 -1.493 1.00 0.00 O ATOM 55 CG2 THR A 4 0.488 -18.821 -3.612 1.00 0.00 C ATOM 0 H THR A 4 -1.050 -20.512 -3.329 1.00 0.00 H new ATOM 0 HA THR A 4 0.237 -20.466 -0.582 1.00 0.00 H new ATOM 0 HB THR A 4 1.843 -19.910 -2.342 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.818 -18.369 -0.661 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.286 -18.303 -4.145 1.00 0.00 H new ATOM 0 HG22 THR A 4 0.189 -19.705 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.367 -18.154 -3.502 1.00 0.00 H new ATOM 63 N ALA A 5 -0.818 -17.866 -0.482 1.00 0.00 N ATOM 64 CA ALA A 5 -1.824 -16.859 -0.031 1.00 0.00 C ATOM 65 C ALA A 5 -2.262 -15.981 -1.194 1.00 0.00 C ATOM 66 O ALA A 5 -3.418 -15.671 -1.345 1.00 0.00 O ATOM 67 CB ALA A 5 -1.099 -15.989 0.987 1.00 0.00 C ATOM 0 H ALA A 5 0.156 -17.608 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.709 -17.346 0.378 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.779 -15.224 1.362 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.756 -16.608 1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.242 -15.511 0.512 1.00 0.00 H new ATOM 73 N THR A 6 -1.332 -15.553 -1.990 1.00 0.00 N ATOM 74 CA THR A 6 -1.664 -14.650 -3.125 1.00 0.00 C ATOM 75 C THR A 6 -2.786 -15.228 -3.990 1.00 0.00 C ATOM 76 O THR A 6 -3.731 -14.540 -4.308 1.00 0.00 O ATOM 77 CB THR A 6 -0.357 -14.537 -3.899 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.041 -15.801 -4.466 1.00 0.00 O ATOM 79 CG2 THR A 6 0.753 -14.114 -2.934 1.00 0.00 C ATOM 0 H THR A 6 -0.344 -15.791 -1.905 1.00 0.00 H new ATOM 0 HA THR A 6 -2.035 -13.680 -2.794 1.00 0.00 H new ATOM 0 HB THR A 6 -0.453 -13.798 -4.694 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.799 -15.734 -4.967 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.694 -14.030 -3.477 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.502 -13.150 -2.491 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.854 -14.860 -2.146 1.00 0.00 H new ATOM 87 N CYS A 7 -2.723 -16.475 -4.366 1.00 0.00 N ATOM 88 CA CYS A 7 -3.844 -17.018 -5.185 1.00 0.00 C ATOM 89 C CYS A 7 -5.151 -16.665 -4.478 1.00 0.00 C ATOM 90 O CYS A 7 -6.097 -16.192 -5.075 1.00 0.00 O ATOM 91 CB CYS A 7 -3.639 -18.532 -5.227 1.00 0.00 C ATOM 92 SG CYS A 7 -4.433 -19.199 -6.712 1.00 0.00 S ATOM 0 H CYS A 7 -1.968 -17.126 -4.150 1.00 0.00 H new ATOM 0 HA CYS A 7 -3.875 -16.612 -6.196 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.575 -18.767 -5.232 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.063 -18.993 -4.335 1.00 0.00 H new ATOM 97 N ALA A 8 -5.182 -16.872 -3.191 1.00 0.00 N ATOM 98 CA ALA A 8 -6.390 -16.536 -2.385 1.00 0.00 C ATOM 99 C ALA A 8 -6.469 -15.031 -2.181 1.00 0.00 C ATOM 100 O ALA A 8 -7.464 -14.389 -2.437 1.00 0.00 O ATOM 101 CB ALA A 8 -6.106 -17.179 -1.034 1.00 0.00 C ATOM 0 H ALA A 8 -4.409 -17.266 -2.655 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.315 -16.871 -2.855 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.940 -16.990 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.979 -18.254 -1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.195 -16.754 -0.613 1.00 0.00 H new ATOM 107 N THR A 9 -5.396 -14.499 -1.694 1.00 0.00 N ATOM 108 CA THR A 9 -5.279 -13.055 -1.401 1.00 0.00 C ATOM 109 C THR A 9 -5.451 -12.220 -2.677 1.00 0.00 C ATOM 110 O THR A 9 -5.676 -11.028 -2.639 1.00 0.00 O ATOM 111 CB THR A 9 -3.870 -12.945 -0.826 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.889 -13.384 0.527 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.356 -11.500 -0.880 1.00 0.00 C ATOM 0 H THR A 9 -4.555 -15.033 -1.477 1.00 0.00 H new ATOM 0 HA THR A 9 -6.043 -12.679 -0.720 1.00 0.00 H new ATOM 0 HB THR A 9 -3.203 -13.567 -1.423 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.760 -14.355 0.558 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.350 -11.456 -0.463 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.335 -11.160 -1.915 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.018 -10.857 -0.300 1.00 0.00 H new ATOM 121 N GLN A 10 -5.323 -12.819 -3.814 1.00 0.00 N ATOM 122 CA GLN A 10 -5.460 -12.031 -5.062 1.00 0.00 C ATOM 123 C GLN A 10 -6.760 -11.228 -5.003 1.00 0.00 C ATOM 124 O GLN A 10 -6.846 -10.125 -5.506 1.00 0.00 O ATOM 125 CB GLN A 10 -5.504 -13.062 -6.189 1.00 0.00 C ATOM 126 CG GLN A 10 -4.766 -12.516 -7.414 1.00 0.00 C ATOM 127 CD GLN A 10 -3.982 -13.647 -8.083 1.00 0.00 C ATOM 128 OE1 GLN A 10 -4.421 -14.207 -9.067 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.830 -14.009 -7.587 1.00 0.00 N ATOM 0 H GLN A 10 -5.131 -13.813 -3.938 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.644 -11.324 -5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.044 -13.994 -5.861 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.538 -13.290 -6.447 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.478 -12.086 -8.119 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.088 -11.716 -7.117 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.460 -13.539 -6.761 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.300 -14.762 -8.026 1.00 0.00 H new ATOM 138 N ARG A 11 -7.767 -11.768 -4.373 1.00 0.00 N ATOM 139 CA ARG A 11 -9.057 -11.024 -4.264 1.00 0.00 C ATOM 140 C ARG A 11 -8.995 -10.009 -3.113 1.00 0.00 C ATOM 141 O ARG A 11 -9.375 -8.868 -3.271 1.00 0.00 O ATOM 142 CB ARG A 11 -10.143 -12.080 -4.006 1.00 0.00 C ATOM 143 CG ARG A 11 -9.703 -13.059 -2.913 1.00 0.00 C ATOM 144 CD ARG A 11 -10.690 -13.009 -1.745 1.00 0.00 C ATOM 145 NE ARG A 11 -10.932 -14.437 -1.391 1.00 0.00 N ATOM 146 CZ ARG A 11 -11.311 -14.765 -0.184 1.00 0.00 C ATOM 147 NH1 ARG A 11 -11.495 -13.844 0.724 1.00 0.00 N ATOM 148 NH2 ARG A 11 -11.508 -16.020 0.115 1.00 0.00 N ATOM 0 H ARG A 11 -7.755 -12.687 -3.931 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.269 -10.460 -5.172 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.070 -11.589 -3.709 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.352 -12.626 -4.926 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.654 -14.070 -3.316 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.701 -12.805 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.277 -12.457 -0.901 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.616 -12.510 -2.030 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.801 -15.163 -2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.343 -12.862 0.493 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -11.791 -14.107 1.664 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.366 -16.741 -0.592 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -11.804 -16.280 1.056 1.00 0.00 H new ATOM 162 N LEU A 12 -8.520 -10.405 -1.959 1.00 0.00 N ATOM 163 CA LEU A 12 -8.440 -9.444 -0.820 1.00 0.00 C ATOM 164 C LEU A 12 -7.299 -8.499 -1.021 1.00 0.00 C ATOM 165 O LEU A 12 -7.296 -7.410 -0.488 1.00 0.00 O ATOM 166 CB LEU A 12 -8.320 -10.308 0.456 1.00 0.00 C ATOM 167 CG LEU A 12 -6.902 -10.321 1.063 1.00 0.00 C ATOM 168 CD1 LEU A 12 -5.893 -10.710 0.016 1.00 0.00 C ATOM 169 CD2 LEU A 12 -6.514 -8.966 1.600 1.00 0.00 C ATOM 0 H LEU A 12 -8.186 -11.348 -1.758 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.320 -8.806 -0.739 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -9.022 -9.937 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.615 -11.331 0.221 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.911 -11.043 1.879 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.896 -10.716 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.128 -11.704 -0.364 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.924 -9.992 -0.804 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.509 -9.015 2.019 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.535 -8.235 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.217 -8.668 2.377 1.00 0.00 H new ATOM 181 N ALA A 13 -6.345 -8.864 -1.801 1.00 0.00 N ATOM 182 CA ALA A 13 -5.236 -7.927 -2.035 1.00 0.00 C ATOM 183 C ALA A 13 -5.833 -6.560 -2.225 1.00 0.00 C ATOM 184 O ALA A 13 -5.383 -5.577 -1.684 1.00 0.00 O ATOM 185 CB ALA A 13 -4.624 -8.404 -3.331 1.00 0.00 C ATOM 0 H ALA A 13 -6.282 -9.760 -2.284 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.506 -7.884 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.782 -7.764 -3.593 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.277 -9.431 -3.213 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.371 -8.362 -4.123 1.00 0.00 H new ATOM 191 N ASN A 14 -6.905 -6.560 -2.943 1.00 0.00 N ATOM 192 CA ASN A 14 -7.679 -5.338 -3.208 1.00 0.00 C ATOM 193 C ASN A 14 -8.092 -4.691 -1.892 1.00 0.00 C ATOM 194 O ASN A 14 -7.926 -3.510 -1.667 1.00 0.00 O ATOM 195 CB ASN A 14 -8.908 -5.895 -3.906 1.00 0.00 C ATOM 196 CG ASN A 14 -8.592 -6.186 -5.368 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.659 -5.310 -6.207 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.244 -7.397 -5.705 1.00 0.00 N ATOM 0 H ASN A 14 -7.292 -7.398 -3.376 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.138 -4.583 -3.779 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.237 -6.807 -3.408 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.729 -5.181 -3.838 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.026 -7.613 -6.678 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.190 -8.128 -4.996 1.00 0.00 H new ATOM 205 N PHE A 15 -8.636 -5.492 -1.030 1.00 0.00 N ATOM 206 CA PHE A 15 -9.097 -5.022 0.298 1.00 0.00 C ATOM 207 C PHE A 15 -7.949 -4.313 1.011 1.00 0.00 C ATOM 208 O PHE A 15 -8.131 -3.361 1.744 1.00 0.00 O ATOM 209 CB PHE A 15 -9.520 -6.346 0.973 1.00 0.00 C ATOM 210 CG PHE A 15 -9.035 -6.520 2.392 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.964 -5.458 3.288 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.702 -7.803 2.811 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.554 -5.692 4.606 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.287 -8.045 4.112 1.00 0.00 C ATOM 215 CZ PHE A 15 -8.213 -6.987 5.021 1.00 0.00 C ATOM 0 H PHE A 15 -8.785 -6.487 -1.197 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.908 -4.294 0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.608 -6.409 0.966 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -9.149 -7.177 0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.224 -4.459 2.969 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.767 -8.624 2.112 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.500 -4.871 5.306 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -8.023 -9.046 4.421 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.895 -7.166 6.038 1.00 0.00 H new ATOM 225 N LEU A 16 -6.770 -4.786 0.800 1.00 0.00 N ATOM 226 CA LEU A 16 -5.583 -4.195 1.463 1.00 0.00 C ATOM 227 C LEU A 16 -4.902 -3.130 0.608 1.00 0.00 C ATOM 228 O LEU A 16 -4.627 -2.038 1.063 1.00 0.00 O ATOM 229 CB LEU A 16 -4.697 -5.410 1.611 1.00 0.00 C ATOM 230 CG LEU A 16 -5.353 -6.361 2.593 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.401 -7.511 2.920 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.725 -5.615 3.876 1.00 0.00 C ATOM 0 H LEU A 16 -6.568 -5.574 0.184 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.820 -3.679 2.393 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.557 -5.898 0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.709 -5.118 1.967 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.259 -6.765 2.141 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.879 -8.190 3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.156 -8.052 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.488 -7.113 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.196 -6.306 4.575 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.825 -5.198 4.328 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.420 -4.809 3.640 1.00 0.00 H new ATOM 244 N VAL A 17 -4.626 -3.433 -0.619 1.00 0.00 N ATOM 245 CA VAL A 17 -3.963 -2.433 -1.486 1.00 0.00 C ATOM 246 C VAL A 17 -4.880 -1.223 -1.601 1.00 0.00 C ATOM 247 O VAL A 17 -4.442 -0.089 -1.646 1.00 0.00 O ATOM 248 CB VAL A 17 -3.757 -3.160 -2.810 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.754 -4.292 -2.580 1.00 0.00 C ATOM 250 CG2 VAL A 17 -5.079 -3.763 -3.279 1.00 0.00 C ATOM 0 H VAL A 17 -4.830 -4.329 -1.061 1.00 0.00 H new ATOM 0 HA VAL A 17 -3.009 -2.060 -1.113 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.391 -2.463 -3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.590 -4.828 -3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.810 -3.876 -2.230 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.147 -4.980 -1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.927 -4.282 -4.226 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.442 -4.469 -2.532 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.813 -2.969 -3.414 1.00 0.00 H new ATOM 260 N ARG A 18 -6.157 -1.464 -1.602 1.00 0.00 N ATOM 261 CA ARG A 18 -7.134 -0.353 -1.660 1.00 0.00 C ATOM 262 C ARG A 18 -7.258 0.257 -0.262 1.00 0.00 C ATOM 263 O ARG A 18 -7.567 1.420 -0.098 1.00 0.00 O ATOM 264 CB ARG A 18 -8.437 -1.025 -2.075 1.00 0.00 C ATOM 265 CG ARG A 18 -9.490 0.039 -2.387 1.00 0.00 C ATOM 266 CD ARG A 18 -10.887 -0.577 -2.275 1.00 0.00 C ATOM 267 NE ARG A 18 -11.446 -0.036 -1.004 1.00 0.00 N ATOM 268 CZ ARG A 18 -12.714 -0.179 -0.733 1.00 0.00 C ATOM 269 NH1 ARG A 18 -13.503 -0.790 -1.576 1.00 0.00 N ATOM 270 NH2 ARG A 18 -13.197 0.289 0.385 1.00 0.00 N ATOM 0 H ARG A 18 -6.569 -2.396 -1.565 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.855 0.447 -2.346 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.271 -1.653 -2.950 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.791 -1.678 -1.277 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.393 0.876 -1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -9.335 0.436 -3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -11.509 -0.303 -3.128 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.838 -1.666 -2.253 1.00 0.00 H new ATOM 0 HE ARG A 18 -10.836 0.447 -0.345 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.128 -1.158 -2.451 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.494 -0.899 -1.360 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.583 0.766 1.046 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.188 0.178 0.598 1.00 0.00 H new ATOM 284 N SER A 19 -7.007 -0.538 0.748 1.00 0.00 N ATOM 285 CA SER A 19 -7.095 -0.035 2.147 1.00 0.00 C ATOM 286 C SER A 19 -6.193 1.189 2.318 1.00 0.00 C ATOM 287 O SER A 19 -6.371 1.986 3.217 1.00 0.00 O ATOM 288 CB SER A 19 -6.606 -1.194 3.014 1.00 0.00 C ATOM 289 OG SER A 19 -5.555 -0.746 3.862 1.00 0.00 O ATOM 0 H SER A 19 -6.744 -1.519 0.660 1.00 0.00 H new ATOM 0 HA SER A 19 -8.105 0.274 2.418 1.00 0.00 H new ATOM 0 HB2 SER A 19 -7.428 -1.585 3.613 1.00 0.00 H new ATOM 0 HB3 SER A 19 -6.255 -2.010 2.383 1.00 0.00 H new ATOM 0 HG SER A 19 -5.244 -1.490 4.418 1.00 0.00 H new ATOM 295 N SER A 20 -5.223 1.340 1.457 1.00 0.00 N ATOM 296 CA SER A 20 -4.306 2.510 1.561 1.00 0.00 C ATOM 297 C SER A 20 -5.071 3.802 1.272 1.00 0.00 C ATOM 298 O SER A 20 -4.560 4.891 1.445 1.00 0.00 O ATOM 299 CB SER A 20 -3.236 2.268 0.497 1.00 0.00 C ATOM 300 OG SER A 20 -2.310 3.347 0.507 1.00 0.00 O ATOM 0 H SER A 20 -5.026 0.703 0.685 1.00 0.00 H new ATOM 0 HA SER A 20 -3.873 2.613 2.556 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.719 1.328 0.692 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.698 2.180 -0.486 1.00 0.00 H new ATOM 0 HG SER A 20 -1.622 3.194 -0.173 1.00 0.00 H new ATOM 306 N ASN A 21 -6.296 3.690 0.834 1.00 0.00 N ATOM 307 CA ASN A 21 -7.097 4.910 0.536 1.00 0.00 C ATOM 308 C ASN A 21 -7.135 5.827 1.761 1.00 0.00 C ATOM 309 O ASN A 21 -6.801 6.993 1.686 1.00 0.00 O ATOM 310 CB ASN A 21 -8.498 4.393 0.209 1.00 0.00 C ATOM 311 CG ASN A 21 -9.278 5.471 -0.546 1.00 0.00 C ATOM 312 OD1 ASN A 21 -10.064 6.189 0.040 1.00 0.00 O ATOM 313 ND2 ASN A 21 -9.093 5.617 -1.829 1.00 0.00 N ATOM 0 H ASN A 21 -6.776 2.805 0.670 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.676 5.492 -0.284 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.431 3.488 -0.395 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.022 4.126 1.127 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.608 6.334 -2.340 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -8.433 5.014 -2.321 1.00 0.00 H new ATOM 320 N ASN A 22 -7.536 5.309 2.890 1.00 0.00 N ATOM 321 CA ASN A 22 -7.592 6.154 4.116 1.00 0.00 C ATOM 322 C ASN A 22 -6.198 6.693 4.445 1.00 0.00 C ATOM 323 O ASN A 22 -6.020 7.868 4.698 1.00 0.00 O ATOM 324 CB ASN A 22 -8.083 5.219 5.221 1.00 0.00 C ATOM 325 CG ASN A 22 -9.394 4.563 4.785 1.00 0.00 C ATOM 326 OD1 ASN A 22 -9.590 3.380 4.979 1.00 0.00 O ATOM 327 ND2 ASN A 22 -10.308 5.287 4.200 1.00 0.00 N ATOM 0 H ASN A 22 -7.827 4.339 3.016 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.247 7.017 3.996 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.333 4.456 5.427 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.232 5.777 6.145 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.186 4.860 3.906 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.144 6.280 4.037 1.00 0.00 H new ATOM 334 N LEU A 23 -5.206 5.845 4.437 1.00 0.00 N ATOM 335 CA LEU A 23 -3.824 6.314 4.743 1.00 0.00 C ATOM 336 C LEU A 23 -3.489 7.536 3.885 1.00 0.00 C ATOM 337 O LEU A 23 -2.998 8.535 4.370 1.00 0.00 O ATOM 338 CB LEU A 23 -2.916 5.137 4.379 1.00 0.00 C ATOM 339 CG LEU A 23 -2.718 4.242 5.603 1.00 0.00 C ATOM 340 CD1 LEU A 23 -1.906 4.993 6.660 1.00 0.00 C ATOM 341 CD2 LEU A 23 -4.082 3.864 6.184 1.00 0.00 C ATOM 0 H LEU A 23 -5.292 4.849 4.232 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.705 6.610 5.785 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.357 4.563 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.953 5.504 4.025 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.184 3.339 5.309 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.765 4.355 7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.934 5.264 6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.440 5.897 6.954 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.942 3.226 7.057 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.616 4.768 6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.662 3.328 5.432 1.00 0.00 H new ATOM 353 N GLY A 24 -3.755 7.460 2.609 1.00 0.00 N ATOM 354 CA GLY A 24 -3.458 8.612 1.713 1.00 0.00 C ATOM 355 C GLY A 24 -2.060 9.150 2.008 1.00 0.00 C ATOM 356 O GLY A 24 -1.909 10.241 2.524 1.00 0.00 O ATOM 0 H GLY A 24 -4.166 6.648 2.149 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.525 8.300 0.671 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.199 9.398 1.859 1.00 0.00 H new ATOM 360 N PRO A 25 -1.077 8.365 1.663 1.00 0.00 N ATOM 361 CA PRO A 25 0.331 8.770 1.888 1.00 0.00 C ATOM 362 C PRO A 25 0.605 10.103 1.195 1.00 0.00 C ATOM 363 O PRO A 25 1.484 10.848 1.583 1.00 0.00 O ATOM 364 CB PRO A 25 1.149 7.644 1.258 1.00 0.00 C ATOM 365 CG PRO A 25 0.209 6.484 1.138 1.00 0.00 C ATOM 366 CD PRO A 25 -1.185 7.044 1.040 1.00 0.00 C ATOM 0 HA PRO A 25 0.574 8.912 2.941 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.535 7.938 0.282 1.00 0.00 H new ATOM 0 HB3 PRO A 25 2.009 7.390 1.878 1.00 0.00 H new ATOM 0 HG2 PRO A 25 0.446 5.887 0.257 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.299 5.826 2.002 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.515 7.117 0.004 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.906 6.414 1.561 1.00 0.00 H new ATOM 374 N VAL A 26 -0.144 10.411 0.175 1.00 0.00 N ATOM 375 CA VAL A 26 0.068 11.698 -0.540 1.00 0.00 C ATOM 376 C VAL A 26 -1.278 12.320 -0.919 1.00 0.00 C ATOM 377 O VAL A 26 -2.292 11.652 -0.953 1.00 0.00 O ATOM 378 CB VAL A 26 0.858 11.329 -1.794 1.00 0.00 C ATOM 379 CG1 VAL A 26 0.901 12.529 -2.742 1.00 0.00 C ATOM 380 CG2 VAL A 26 2.284 10.938 -1.398 1.00 0.00 C ATOM 0 H VAL A 26 -0.894 9.827 -0.195 1.00 0.00 H new ATOM 0 HA VAL A 26 0.595 12.429 0.074 1.00 0.00 H new ATOM 0 HB VAL A 26 0.376 10.490 -2.295 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.465 12.266 -3.637 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.115 12.808 -3.022 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.384 13.370 -2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.850 10.674 -2.291 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.766 11.778 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 26 2.253 10.083 -0.723 1.00 0.00 H new ATOM 390 N LEU A 27 -1.296 13.592 -1.205 1.00 0.00 N ATOM 391 CA LEU A 27 -2.578 14.251 -1.579 1.00 0.00 C ATOM 392 C LEU A 27 -2.306 15.572 -2.304 1.00 0.00 C ATOM 393 O LEU A 27 -2.072 16.588 -1.680 1.00 0.00 O ATOM 394 CB LEU A 27 -3.299 14.499 -0.253 1.00 0.00 C ATOM 395 CG LEU A 27 -2.357 15.221 0.713 1.00 0.00 C ATOM 396 CD1 LEU A 27 -2.750 16.698 0.805 1.00 0.00 C ATOM 397 CD2 LEU A 27 -2.460 14.578 2.098 1.00 0.00 C ATOM 0 H LEU A 27 -0.479 14.203 -1.196 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.174 13.639 -2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.194 15.098 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.624 13.553 0.179 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.333 15.142 0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.078 17.211 1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.678 17.156 -0.182 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.774 16.780 1.169 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.790 15.091 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.485 14.658 2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.179 13.527 2.033 1.00 0.00 H new ATOM 409 N PRO A 28 -2.350 15.508 -3.607 1.00 0.00 N ATOM 410 CA PRO A 28 -2.110 16.704 -4.440 1.00 0.00 C ATOM 411 C PRO A 28 -3.190 17.758 -4.185 1.00 0.00 C ATOM 412 O PRO A 28 -2.897 18.936 -4.141 1.00 0.00 O ATOM 413 CB PRO A 28 -2.187 16.190 -5.879 1.00 0.00 C ATOM 414 CG PRO A 28 -2.126 14.697 -5.782 1.00 0.00 C ATOM 415 CD PRO A 28 -2.625 14.323 -4.415 1.00 0.00 C ATOM 0 HA PRO A 28 -1.154 17.180 -4.221 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.110 16.513 -6.361 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.362 16.577 -6.477 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -2.739 14.235 -6.556 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.106 14.343 -5.930 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -3.689 14.086 -4.429 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -2.108 13.445 -4.027 1.00 0.00 H new ATOM 423 N PRO A 29 -4.414 17.311 -4.030 1.00 0.00 N ATOM 424 CA PRO A 29 -5.517 18.246 -3.791 1.00 0.00 C ATOM 425 C PRO A 29 -5.092 19.374 -2.845 1.00 0.00 C ATOM 426 O PRO A 29 -4.999 20.521 -3.233 1.00 0.00 O ATOM 427 CB PRO A 29 -6.588 17.365 -3.167 1.00 0.00 C ATOM 428 CG PRO A 29 -6.378 16.040 -3.810 1.00 0.00 C ATOM 429 CD PRO A 29 -4.898 15.923 -4.065 1.00 0.00 C ATOM 0 HA PRO A 29 -5.858 18.749 -4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.477 17.306 -2.084 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -7.588 17.751 -3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -6.726 15.235 -3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -6.940 15.966 -4.741 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.410 15.312 -3.305 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -4.696 15.455 -5.028 1.00 0.00 H new ATOM 437 N THR A 30 -4.835 19.057 -1.606 1.00 0.00 N ATOM 438 CA THR A 30 -4.419 20.112 -0.637 1.00 0.00 C ATOM 439 C THR A 30 -4.229 19.505 0.755 1.00 0.00 C ATOM 440 O THR A 30 -4.677 18.409 1.030 1.00 0.00 O ATOM 441 CB THR A 30 -5.569 21.122 -0.630 1.00 0.00 C ATOM 442 OG1 THR A 30 -5.448 21.965 0.507 1.00 0.00 O ATOM 443 CG2 THR A 30 -6.905 20.380 -0.578 1.00 0.00 C ATOM 0 H THR A 30 -4.895 18.114 -1.222 1.00 0.00 H new ATOM 0 HA THR A 30 -3.472 20.576 -0.913 1.00 0.00 H new ATOM 0 HB THR A 30 -5.528 21.725 -1.537 1.00 0.00 H new ATOM 0 HG1 THR A 30 -6.182 22.614 0.513 1.00 0.00 H new ATOM 0 HG21 THR A 30 -7.722 21.102 -0.573 1.00 0.00 H new ATOM 0 HG22 THR A 30 -6.997 19.734 -1.451 1.00 0.00 H new ATOM 0 HG23 THR A 30 -6.950 19.775 0.327 1.00 0.00 H new ATOM 451 N ASN A 31 -3.565 20.204 1.635 1.00 0.00 N ATOM 452 CA ASN A 31 -3.347 19.657 3.006 1.00 0.00 C ATOM 453 C ASN A 31 -3.415 20.781 4.045 1.00 0.00 C ATOM 454 O ASN A 31 -2.802 20.708 5.092 1.00 0.00 O ATOM 455 CB ASN A 31 -1.948 19.043 2.966 1.00 0.00 C ATOM 456 CG ASN A 31 -1.860 17.906 3.985 1.00 0.00 C ATOM 457 OD1 ASN A 31 -1.635 16.767 3.625 1.00 0.00 O ATOM 458 ND2 ASN A 31 -2.032 18.167 5.252 1.00 0.00 N ATOM 0 H ASN A 31 -3.165 21.127 1.466 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.106 18.926 3.285 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -1.733 18.667 1.966 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -1.199 19.803 3.188 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -1.978 17.415 5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.221 19.123 5.555 1.00 0.00 H new ATOM 465 N VAL A 32 -4.156 21.820 3.766 1.00 0.00 N ATOM 466 CA VAL A 32 -4.260 22.945 4.741 1.00 0.00 C ATOM 467 C VAL A 32 -5.729 23.274 5.030 1.00 0.00 C ATOM 468 O VAL A 32 -6.047 23.923 6.006 1.00 0.00 O ATOM 469 CB VAL A 32 -3.572 24.125 4.056 1.00 0.00 C ATOM 470 CG1 VAL A 32 -2.208 23.683 3.523 1.00 0.00 C ATOM 471 CG2 VAL A 32 -4.438 24.615 2.894 1.00 0.00 C ATOM 0 H VAL A 32 -4.693 21.939 2.907 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.800 22.701 5.699 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.436 24.933 4.775 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.718 24.525 3.035 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.590 23.333 4.350 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.343 22.875 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -3.948 25.457 2.405 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -4.574 23.807 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -5.410 24.931 3.273 1.00 0.00 H new ATOM 481 N GLY A 33 -6.627 22.833 4.191 1.00 0.00 N ATOM 482 CA GLY A 33 -8.070 23.125 4.425 1.00 0.00 C ATOM 483 C GLY A 33 -8.858 21.815 4.448 1.00 0.00 C ATOM 484 O GLY A 33 -9.595 21.506 3.532 1.00 0.00 O ATOM 0 H GLY A 33 -6.424 22.284 3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.196 23.654 5.369 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -8.452 23.778 3.640 1.00 0.00 H new ATOM 488 N SER A 34 -8.712 21.042 5.488 1.00 0.00 N ATOM 489 CA SER A 34 -9.455 19.752 5.571 1.00 0.00 C ATOM 490 C SER A 34 -10.371 19.753 6.798 1.00 0.00 C ATOM 491 O SER A 34 -10.900 18.733 7.193 1.00 0.00 O ATOM 492 CB SER A 34 -8.373 18.681 5.710 1.00 0.00 C ATOM 493 OG SER A 34 -7.172 19.147 5.105 1.00 0.00 O ATOM 0 H SER A 34 -8.110 21.247 6.285 1.00 0.00 H new ATOM 0 HA SER A 34 -10.088 19.580 4.700 1.00 0.00 H new ATOM 0 HB2 SER A 34 -8.200 18.456 6.762 1.00 0.00 H new ATOM 0 HB3 SER A 34 -8.698 17.755 5.235 1.00 0.00 H new ATOM 0 HG SER A 34 -6.475 18.464 5.193 1.00 0.00 H new ATOM 499 N ASN A 35 -10.558 20.893 7.406 1.00 0.00 N ATOM 500 CA ASN A 35 -11.436 20.964 8.611 1.00 0.00 C ATOM 501 C ASN A 35 -12.505 22.048 8.436 1.00 0.00 C ATOM 502 O ASN A 35 -13.470 22.102 9.172 1.00 0.00 O ATOM 503 CB ASN A 35 -10.497 21.318 9.768 1.00 0.00 C ATOM 504 CG ASN A 35 -9.494 22.382 9.314 1.00 0.00 C ATOM 505 OD1 ASN A 35 -8.590 22.095 8.554 1.00 0.00 O ATOM 506 ND2 ASN A 35 -9.616 23.606 9.749 1.00 0.00 N ATOM 0 H ASN A 35 -10.141 21.779 7.121 1.00 0.00 H new ATOM 0 HA ASN A 35 -11.966 20.027 8.786 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.073 21.687 10.617 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -9.968 20.427 10.105 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.953 24.322 9.451 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.375 23.847 10.387 1.00 0.00 H new ATOM 513 N THR A 36 -12.342 22.911 7.471 1.00 0.00 N ATOM 514 CA THR A 36 -13.352 23.988 7.257 1.00 0.00 C ATOM 515 C THR A 36 -13.719 24.087 5.773 1.00 0.00 C ATOM 516 O THR A 36 -14.779 23.664 5.358 1.00 0.00 O ATOM 517 CB THR A 36 -12.668 25.272 7.732 1.00 0.00 C ATOM 518 OG1 THR A 36 -12.280 25.124 9.090 1.00 0.00 O ATOM 519 CG2 THR A 36 -13.638 26.446 7.602 1.00 0.00 C ATOM 0 H THR A 36 -11.555 22.918 6.822 1.00 0.00 H new ATOM 0 HA THR A 36 -14.279 23.797 7.797 1.00 0.00 H new ATOM 0 HB THR A 36 -11.786 25.463 7.120 1.00 0.00 H new ATOM 0 HG1 THR A 36 -11.840 25.945 9.396 1.00 0.00 H new ATOM 0 HG21 THR A 36 -13.150 27.360 7.940 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.936 26.558 6.559 1.00 0.00 H new ATOM 0 HG23 THR A 36 -14.521 26.258 8.213 1.00 0.00 H new ATOM 527 N TYR A 37 -12.850 24.641 4.969 1.00 0.00 N ATOM 528 CA TYR A 37 -13.154 24.763 3.513 1.00 0.00 C ATOM 529 C TYR A 37 -12.151 23.948 2.691 1.00 0.00 C ATOM 530 O TYR A 37 -11.301 24.500 2.021 1.00 0.00 O ATOM 531 CB TYR A 37 -13.015 26.253 3.199 1.00 0.00 C ATOM 532 CG TYR A 37 -14.318 26.953 3.500 1.00 0.00 C ATOM 533 CD1 TYR A 37 -15.512 26.481 2.941 1.00 0.00 C ATOM 534 CD2 TYR A 37 -14.334 28.075 4.337 1.00 0.00 C ATOM 535 CE1 TYR A 37 -16.721 27.131 3.220 1.00 0.00 C ATOM 536 CE2 TYR A 37 -15.541 28.724 4.615 1.00 0.00 C ATOM 537 CZ TYR A 37 -16.735 28.253 4.057 1.00 0.00 C ATOM 538 OH TYR A 37 -17.926 28.893 4.332 1.00 0.00 O ATOM 0 H TYR A 37 -11.945 25.013 5.257 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.147 24.386 3.269 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -12.211 26.687 3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -12.749 26.392 2.151 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -15.501 25.616 2.295 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -13.413 28.440 4.768 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -17.642 26.767 2.790 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -15.552 29.590 5.261 1.00 0.00 H new ATOM 0 HH TYR A 37 -17.759 29.652 4.930 1.00 0.00 H new HETATM 548 N NH2 A 38 -12.216 22.645 2.716 1.00 0.00 N TER 551 NH2 A 38