USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=10 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 120:sc= 0.0279 USER MOD Set 1.2: A 6 THR OG1 : rot 180:sc= -0.0715 USER MOD Set 2.1: A 1 LYS N :NH3+ -152:sc= -0.0205 (180deg=0) USER MOD Set 2.2: A 3 ASN : amide:sc= -0.912 K(o=-0.93,f=-7.4!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 89:sc= 0.00838 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 ASN : amide:sc= 0.158 X(o=0.16,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= -0.159 K(o=-0.16,f=-1.6) USER MOD Single : A 22 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.007) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.085 USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc=0.000991 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 0.478 -25.351 -6.303 1.00 0.00 N ATOM 2 CA LYS A 1 0.578 -24.217 -7.267 1.00 0.00 C ATOM 3 C LYS A 1 -0.298 -23.050 -6.806 1.00 0.00 C ATOM 4 O LYS A 1 0.189 -21.980 -6.500 1.00 0.00 O ATOM 5 CB LYS A 1 0.071 -24.779 -8.597 1.00 0.00 C ATOM 6 CG LYS A 1 1.262 -25.214 -9.453 1.00 0.00 C ATOM 7 CD LYS A 1 1.001 -24.850 -10.916 1.00 0.00 C ATOM 8 CE LYS A 1 2.037 -25.540 -11.805 1.00 0.00 C ATOM 9 NZ LYS A 1 1.282 -25.975 -13.013 1.00 0.00 N ATOM 0 H1 LYS A 1 1.359 -25.904 -6.325 1.00 0.00 H new ATOM 0 H2 LYS A 1 0.326 -24.979 -5.344 1.00 0.00 H new ATOM 0 H3 LYS A 1 -0.321 -25.962 -6.568 1.00 0.00 H new ATOM 0 HA LYS A 1 1.595 -23.835 -7.349 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -0.591 -25.627 -8.418 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -0.513 -24.025 -9.124 1.00 0.00 H new ATOM 0 HG2 LYS A 1 2.172 -24.727 -9.103 1.00 0.00 H new ATOM 0 HG3 LYS A 1 1.419 -26.288 -9.357 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -0.004 -25.157 -11.205 1.00 0.00 H new ATOM 0 HD3 LYS A 1 1.054 -23.769 -11.048 1.00 0.00 H new ATOM 0 HE2 LYS A 1 2.846 -24.859 -12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 1 2.490 -26.390 -11.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 1.927 -26.457 -13.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 0.523 -26.628 -12.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 0.868 -25.144 -13.481 1.00 0.00 H new ATOM 25 N CYS A 2 -1.588 -23.246 -6.754 1.00 0.00 N ATOM 26 CA CYS A 2 -2.490 -22.142 -6.313 1.00 0.00 C ATOM 27 C CYS A 2 -2.868 -22.317 -4.840 1.00 0.00 C ATOM 28 O CYS A 2 -3.696 -21.600 -4.315 1.00 0.00 O ATOM 29 CB CYS A 2 -3.731 -22.262 -7.198 1.00 0.00 C ATOM 30 SG CYS A 2 -4.855 -20.890 -6.838 1.00 0.00 S ATOM 0 H CYS A 2 -2.055 -24.119 -6.997 1.00 0.00 H new ATOM 0 HA CYS A 2 -2.014 -21.166 -6.405 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.445 -22.247 -8.250 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.230 -23.214 -7.017 1.00 0.00 H new ATOM 35 N ASN A 3 -2.274 -23.266 -4.169 1.00 0.00 N ATOM 36 CA ASN A 3 -2.610 -23.480 -2.732 1.00 0.00 C ATOM 37 C ASN A 3 -1.788 -22.541 -1.843 1.00 0.00 C ATOM 38 O ASN A 3 -1.303 -22.925 -0.796 1.00 0.00 O ATOM 39 CB ASN A 3 -2.244 -24.938 -2.453 1.00 0.00 C ATOM 40 CG ASN A 3 -0.801 -25.194 -2.886 1.00 0.00 C ATOM 41 OD1 ASN A 3 -0.099 -24.279 -3.270 1.00 0.00 O ATOM 42 ND2 ASN A 3 -0.324 -26.408 -2.842 1.00 0.00 N ATOM 0 H ASN A 3 -1.573 -23.900 -4.552 1.00 0.00 H new ATOM 0 HA ASN A 3 -3.659 -23.273 -2.521 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -2.360 -25.156 -1.391 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -2.920 -25.603 -2.991 1.00 0.00 H new ATOM 0 HD21 ASN A 3 0.638 -26.589 -3.130 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.913 -27.176 -2.520 1.00 0.00 H new ATOM 49 N THR A 4 -1.632 -21.310 -2.249 1.00 0.00 N ATOM 50 CA THR A 4 -0.847 -20.343 -1.428 1.00 0.00 C ATOM 51 C THR A 4 -1.753 -19.197 -0.967 1.00 0.00 C ATOM 52 O THR A 4 -2.961 -19.273 -1.071 1.00 0.00 O ATOM 53 CB THR A 4 0.246 -19.825 -2.363 1.00 0.00 C ATOM 54 OG1 THR A 4 -0.341 -19.024 -3.379 1.00 0.00 O ATOM 55 CG2 THR A 4 0.978 -21.008 -3.003 1.00 0.00 C ATOM 0 H THR A 4 -2.015 -20.931 -3.115 1.00 0.00 H new ATOM 0 HA THR A 4 -0.428 -20.800 -0.532 1.00 0.00 H new ATOM 0 HB THR A 4 0.957 -19.226 -1.793 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.022 -18.115 -3.329 1.00 0.00 H new ATOM 0 HG21 THR A 4 1.757 -20.637 -3.669 1.00 0.00 H new ATOM 0 HG22 THR A 4 1.430 -21.621 -2.223 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.269 -21.609 -3.573 1.00 0.00 H new ATOM 63 N ALA A 5 -1.185 -18.134 -0.462 1.00 0.00 N ATOM 64 CA ALA A 5 -2.031 -16.994 -0.002 1.00 0.00 C ATOM 65 C ALA A 5 -2.410 -16.104 -1.175 1.00 0.00 C ATOM 66 O ALA A 5 -3.552 -15.770 -1.359 1.00 0.00 O ATOM 67 CB ALA A 5 -1.166 -16.191 0.963 1.00 0.00 C ATOM 0 H ALA A 5 -0.179 -18.006 -0.349 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.949 -17.355 0.461 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.733 -15.338 1.336 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.870 -16.824 1.800 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.276 -15.836 0.444 1.00 0.00 H new ATOM 73 N THR A 6 -1.450 -15.703 -1.954 1.00 0.00 N ATOM 74 CA THR A 6 -1.746 -14.800 -3.099 1.00 0.00 C ATOM 75 C THR A 6 -2.885 -15.357 -3.952 1.00 0.00 C ATOM 76 O THR A 6 -3.776 -14.631 -4.340 1.00 0.00 O ATOM 77 CB THR A 6 -0.437 -14.747 -3.880 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.120 -16.051 -4.351 1.00 0.00 O ATOM 79 CG2 THR A 6 0.676 -14.253 -2.954 1.00 0.00 C ATOM 0 H THR A 6 -0.469 -15.962 -1.848 1.00 0.00 H new ATOM 0 HA THR A 6 -2.075 -13.811 -2.781 1.00 0.00 H new ATOM 0 HB THR A 6 -0.536 -14.069 -4.728 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.720 -16.022 -4.855 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.616 -14.212 -3.504 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.428 -13.258 -2.585 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.779 -14.937 -2.111 1.00 0.00 H new ATOM 87 N CYS A 7 -2.900 -16.630 -4.231 1.00 0.00 N ATOM 88 CA CYS A 7 -4.036 -17.166 -5.031 1.00 0.00 C ATOM 89 C CYS A 7 -5.333 -16.742 -4.341 1.00 0.00 C ATOM 90 O CYS A 7 -6.248 -16.229 -4.956 1.00 0.00 O ATOM 91 CB CYS A 7 -3.871 -18.686 -5.011 1.00 0.00 C ATOM 92 SG CYS A 7 -3.638 -19.284 -6.704 1.00 0.00 S ATOM 0 H CYS A 7 -2.193 -17.309 -3.948 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.059 -16.800 -6.058 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -3.016 -18.963 -4.394 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.749 -19.153 -4.566 1.00 0.00 H new ATOM 97 N ALA A 8 -5.393 -16.927 -3.050 1.00 0.00 N ATOM 98 CA ALA A 8 -6.596 -16.514 -2.270 1.00 0.00 C ATOM 99 C ALA A 8 -6.590 -15.005 -2.096 1.00 0.00 C ATOM 100 O ALA A 8 -7.529 -14.304 -2.408 1.00 0.00 O ATOM 101 CB ALA A 8 -6.369 -17.140 -0.904 1.00 0.00 C ATOM 0 H ALA A 8 -4.650 -17.352 -2.495 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.530 -16.811 -2.748 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.204 -16.895 -0.248 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.295 -18.223 -1.008 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.445 -16.752 -0.475 1.00 0.00 H new ATOM 107 N THR A 9 -5.500 -14.536 -1.585 1.00 0.00 N ATOM 108 CA THR A 9 -5.293 -13.097 -1.330 1.00 0.00 C ATOM 109 C THR A 9 -5.463 -12.300 -2.627 1.00 0.00 C ATOM 110 O THR A 9 -5.633 -11.098 -2.628 1.00 0.00 O ATOM 111 CB THR A 9 -3.862 -13.051 -0.803 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.855 -13.486 0.551 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.288 -11.632 -0.880 1.00 0.00 C ATOM 0 H THR A 9 -4.707 -15.121 -1.321 1.00 0.00 H new ATOM 0 HA THR A 9 -6.005 -12.657 -0.631 1.00 0.00 H new ATOM 0 HB THR A 9 -3.244 -13.704 -1.419 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.736 -14.458 0.582 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.267 -11.631 -0.498 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.287 -11.296 -1.917 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.901 -10.959 -0.281 1.00 0.00 H new ATOM 121 N GLN A 10 -5.407 -12.955 -3.741 1.00 0.00 N ATOM 122 CA GLN A 10 -5.555 -12.218 -5.018 1.00 0.00 C ATOM 123 C GLN A 10 -6.810 -11.351 -4.946 1.00 0.00 C ATOM 124 O GLN A 10 -6.867 -10.276 -5.510 1.00 0.00 O ATOM 125 CB GLN A 10 -5.696 -13.292 -6.097 1.00 0.00 C ATOM 126 CG GLN A 10 -4.947 -12.849 -7.354 1.00 0.00 C ATOM 127 CD GLN A 10 -3.737 -13.758 -7.577 1.00 0.00 C ATOM 128 OE1 GLN A 10 -3.824 -14.742 -8.285 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.603 -13.467 -7.000 1.00 0.00 N ATOM 0 H GLN A 10 -5.266 -13.962 -3.826 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.710 -11.562 -5.229 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -5.296 -14.240 -5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.749 -13.457 -6.326 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.610 -12.890 -8.218 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.623 -11.814 -7.250 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.530 -12.641 -6.406 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.790 -14.065 -7.143 1.00 0.00 H new ATOM 138 N ARG A 11 -7.814 -11.804 -4.245 1.00 0.00 N ATOM 139 CA ARG A 11 -9.055 -10.990 -4.130 1.00 0.00 C ATOM 140 C ARG A 11 -8.912 -9.946 -3.012 1.00 0.00 C ATOM 141 O ARG A 11 -9.247 -8.794 -3.194 1.00 0.00 O ATOM 142 CB ARG A 11 -10.193 -11.977 -3.826 1.00 0.00 C ATOM 143 CG ARG A 11 -9.836 -12.890 -2.650 1.00 0.00 C ATOM 144 CD ARG A 11 -10.806 -12.623 -1.495 1.00 0.00 C ATOM 145 NE ARG A 11 -11.289 -13.972 -1.081 1.00 0.00 N ATOM 146 CZ ARG A 11 -12.477 -14.121 -0.553 1.00 0.00 C ATOM 147 NH1 ARG A 11 -13.257 -13.089 -0.366 1.00 0.00 N ATOM 148 NH2 ARG A 11 -12.884 -15.310 -0.203 1.00 0.00 N ATOM 0 H ARG A 11 -7.828 -12.696 -3.751 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.257 -10.438 -5.048 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.105 -11.425 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.399 -12.581 -4.709 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.893 -13.935 -2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.810 -12.707 -2.330 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.308 -12.111 -0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.633 -11.987 -1.812 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.688 -14.786 -1.211 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -12.941 -12.156 -0.632 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.181 -13.216 0.046 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -12.277 -16.118 -0.341 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -13.809 -15.432 0.209 1.00 0.00 H new ATOM 162 N LEU A 12 -8.415 -10.325 -1.862 1.00 0.00 N ATOM 163 CA LEU A 12 -8.256 -9.332 -0.761 1.00 0.00 C ATOM 164 C LEU A 12 -7.084 -8.441 -1.025 1.00 0.00 C ATOM 165 O LEU A 12 -7.024 -7.336 -0.532 1.00 0.00 O ATOM 166 CB LEU A 12 -8.133 -10.153 0.542 1.00 0.00 C ATOM 167 CG LEU A 12 -6.698 -10.202 1.108 1.00 0.00 C ATOM 168 CD1 LEU A 12 -5.742 -10.686 0.051 1.00 0.00 C ATOM 169 CD2 LEU A 12 -6.229 -8.842 1.565 1.00 0.00 C ATOM 0 H LEU A 12 -8.114 -11.274 -1.640 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.107 -8.655 -0.681 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.797 -9.727 1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.476 -11.171 0.354 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.716 -10.882 1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.732 -10.717 0.460 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.033 -11.685 -0.273 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.767 -10.007 -0.801 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.215 -8.920 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.241 -8.151 0.722 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.892 -8.472 2.347 1.00 0.00 H new ATOM 181 N ALA A 13 -6.164 -8.870 -1.815 1.00 0.00 N ATOM 182 CA ALA A 13 -5.026 -7.986 -2.106 1.00 0.00 C ATOM 183 C ALA A 13 -5.576 -6.603 -2.331 1.00 0.00 C ATOM 184 O ALA A 13 -5.059 -5.616 -1.865 1.00 0.00 O ATOM 185 CB ALA A 13 -4.463 -8.529 -3.398 1.00 0.00 C ATOM 0 H ALA A 13 -6.148 -9.784 -2.268 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.276 -7.945 -1.316 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.603 -7.931 -3.700 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.153 -9.564 -3.253 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.226 -8.485 -4.175 1.00 0.00 H new ATOM 191 N ASN A 14 -6.681 -6.588 -2.996 1.00 0.00 N ATOM 192 CA ASN A 14 -7.412 -5.346 -3.281 1.00 0.00 C ATOM 193 C ASN A 14 -7.798 -4.652 -1.977 1.00 0.00 C ATOM 194 O ASN A 14 -7.606 -3.469 -1.788 1.00 0.00 O ATOM 195 CB ASN A 14 -8.662 -5.874 -3.964 1.00 0.00 C ATOM 196 CG ASN A 14 -8.354 -6.235 -5.413 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.317 -5.381 -6.276 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.127 -7.484 -5.715 1.00 0.00 N ATOM 0 H ASN A 14 -7.125 -7.427 -3.370 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.846 -4.622 -3.867 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.033 -6.751 -3.433 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.451 -5.122 -3.928 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.918 -7.746 -6.678 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.159 -8.198 -4.988 1.00 0.00 H new ATOM 205 N PHE A 15 -8.346 -5.417 -1.084 1.00 0.00 N ATOM 206 CA PHE A 15 -8.782 -4.896 0.237 1.00 0.00 C ATOM 207 C PHE A 15 -7.616 -4.179 0.909 1.00 0.00 C ATOM 208 O PHE A 15 -7.776 -3.204 1.617 1.00 0.00 O ATOM 209 CB PHE A 15 -9.205 -6.193 0.962 1.00 0.00 C ATOM 210 CG PHE A 15 -8.695 -6.322 2.379 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.606 -5.232 3.239 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.354 -7.593 2.837 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.172 -5.422 4.555 1.00 0.00 C ATOM 214 CE2 PHE A 15 -7.913 -7.791 4.137 1.00 0.00 C ATOM 215 CZ PHE A 15 -7.822 -6.702 5.007 1.00 0.00 C ATOM 0 H PHE A 15 -8.516 -6.414 -1.218 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.585 -4.159 0.216 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.294 -6.246 0.976 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.852 -7.047 0.384 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -8.871 -4.244 2.892 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.434 -8.438 2.169 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.106 -4.578 5.226 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.642 -8.780 4.474 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.484 -6.845 6.023 1.00 0.00 H new ATOM 225 N LEU A 16 -6.448 -4.672 0.697 1.00 0.00 N ATOM 226 CA LEU A 16 -5.247 -4.077 1.325 1.00 0.00 C ATOM 227 C LEU A 16 -4.587 -3.016 0.447 1.00 0.00 C ATOM 228 O LEU A 16 -4.319 -1.915 0.888 1.00 0.00 O ATOM 229 CB LEU A 16 -4.360 -5.293 1.464 1.00 0.00 C ATOM 230 CG LEU A 16 -5.004 -6.241 2.455 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.063 -7.408 2.748 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.330 -5.494 3.750 1.00 0.00 C ATOM 0 H LEU A 16 -6.264 -5.480 0.103 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.460 -3.552 2.256 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.232 -5.782 0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.367 -5.002 1.807 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.927 -6.631 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.534 -8.085 3.461 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.851 -7.945 1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.132 -7.028 3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.793 -6.180 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.412 -5.093 4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.018 -4.676 3.535 1.00 0.00 H new ATOM 244 N VAL A 17 -4.313 -3.328 -0.781 1.00 0.00 N ATOM 245 CA VAL A 17 -3.662 -2.324 -1.661 1.00 0.00 C ATOM 246 C VAL A 17 -4.621 -1.160 -1.873 1.00 0.00 C ATOM 247 O VAL A 17 -4.226 -0.012 -1.928 1.00 0.00 O ATOM 248 CB VAL A 17 -3.357 -3.079 -2.952 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.275 -4.119 -2.655 1.00 0.00 C ATOM 250 CG2 VAL A 17 -4.614 -3.798 -3.446 1.00 0.00 C ATOM 0 H VAL A 17 -4.509 -4.230 -1.215 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.748 -1.896 -1.248 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.022 -2.380 -3.718 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.041 -4.671 -3.565 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.377 -3.617 -2.294 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.635 -4.811 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.388 -4.334 -4.368 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -4.950 -4.505 -2.688 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.400 -3.067 -3.635 1.00 0.00 H new ATOM 260 N ARG A 18 -5.884 -1.449 -1.948 1.00 0.00 N ATOM 261 CA ARG A 18 -6.889 -0.374 -2.104 1.00 0.00 C ATOM 262 C ARG A 18 -7.115 0.284 -0.739 1.00 0.00 C ATOM 263 O ARG A 18 -7.701 1.342 -0.631 1.00 0.00 O ATOM 264 CB ARG A 18 -8.142 -1.102 -2.575 1.00 0.00 C ATOM 265 CG ARG A 18 -9.132 -0.096 -3.166 1.00 0.00 C ATOM 266 CD ARG A 18 -9.528 -0.538 -4.577 1.00 0.00 C ATOM 267 NE ARG A 18 -8.532 0.109 -5.478 1.00 0.00 N ATOM 268 CZ ARG A 18 -8.649 1.372 -5.790 1.00 0.00 C ATOM 269 NH1 ARG A 18 -9.638 2.079 -5.313 1.00 0.00 N ATOM 270 NH2 ARG A 18 -7.775 1.930 -6.581 1.00 0.00 N ATOM 0 H ARG A 18 -6.266 -2.394 -1.907 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.594 0.411 -2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.880 -1.851 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.602 -1.632 -1.741 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -10.017 -0.026 -2.534 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.683 0.897 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -9.500 -1.623 -4.673 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.543 -0.222 -4.819 1.00 0.00 H new ATOM 0 HE ARG A 18 -7.756 -0.437 -5.852 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.323 1.645 -4.694 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.725 3.065 -5.559 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -7.002 1.380 -6.955 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.865 2.916 -6.826 1.00 0.00 H new ATOM 284 N SER A 19 -6.644 -0.351 0.304 1.00 0.00 N ATOM 285 CA SER A 19 -6.811 0.210 1.674 1.00 0.00 C ATOM 286 C SER A 19 -6.182 1.603 1.758 1.00 0.00 C ATOM 287 O SER A 19 -6.511 2.394 2.619 1.00 0.00 O ATOM 288 CB SER A 19 -6.068 -0.764 2.586 1.00 0.00 C ATOM 289 OG SER A 19 -6.413 -0.502 3.939 1.00 0.00 O ATOM 0 H SER A 19 -6.147 -1.241 0.262 1.00 0.00 H new ATOM 0 HA SER A 19 -7.859 0.318 1.952 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.325 -1.791 2.326 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.992 -0.660 2.447 1.00 0.00 H new ATOM 0 HG SER A 19 -5.938 -1.128 4.525 1.00 0.00 H new ATOM 295 N SER A 20 -5.271 1.901 0.870 1.00 0.00 N ATOM 296 CA SER A 20 -4.605 3.237 0.891 1.00 0.00 C ATOM 297 C SER A 20 -5.619 4.340 1.213 1.00 0.00 C ATOM 298 O SER A 20 -5.279 5.364 1.772 1.00 0.00 O ATOM 299 CB SER A 20 -4.048 3.423 -0.519 1.00 0.00 C ATOM 300 OG SER A 20 -2.762 2.823 -0.600 1.00 0.00 O ATOM 0 H SER A 20 -4.958 1.275 0.128 1.00 0.00 H new ATOM 0 HA SER A 20 -3.827 3.293 1.652 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.719 2.972 -1.250 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.982 4.484 -0.759 1.00 0.00 H new ATOM 0 HG SER A 20 -2.403 2.939 -1.504 1.00 0.00 H new ATOM 306 N ASN A 21 -6.859 4.140 0.863 1.00 0.00 N ATOM 307 CA ASN A 21 -7.890 5.178 1.147 1.00 0.00 C ATOM 308 C ASN A 21 -7.756 5.684 2.586 1.00 0.00 C ATOM 309 O ASN A 21 -7.512 6.851 2.823 1.00 0.00 O ATOM 310 CB ASN A 21 -9.231 4.468 0.954 1.00 0.00 C ATOM 311 CG ASN A 21 -10.369 5.418 1.335 1.00 0.00 C ATOM 312 OD1 ASN A 21 -10.195 6.621 1.338 1.00 0.00 O ATOM 313 ND2 ASN A 21 -11.533 4.927 1.659 1.00 0.00 N ATOM 0 H ASN A 21 -7.203 3.303 0.393 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.788 6.046 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.340 4.149 -0.083 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.271 3.569 1.570 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -12.297 5.552 1.915 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.679 3.918 1.657 1.00 0.00 H new ATOM 320 N ASN A 22 -7.916 4.817 3.547 1.00 0.00 N ATOM 321 CA ASN A 22 -7.802 5.250 4.968 1.00 0.00 C ATOM 322 C ASN A 22 -6.350 5.598 5.308 1.00 0.00 C ATOM 323 O ASN A 22 -6.085 6.445 6.139 1.00 0.00 O ATOM 324 CB ASN A 22 -8.270 4.048 5.787 1.00 0.00 C ATOM 325 CG ASN A 22 -8.717 4.518 7.172 1.00 0.00 C ATOM 326 OD1 ASN A 22 -9.855 4.327 7.554 1.00 0.00 O ATOM 327 ND2 ASN A 22 -7.863 5.129 7.946 1.00 0.00 N ATOM 0 H ASN A 22 -8.121 3.827 3.410 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.395 6.141 5.173 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -9.093 3.546 5.278 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.463 3.322 5.881 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -8.150 5.446 8.872 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.908 5.289 7.625 1.00 0.00 H new ATOM 334 N LEU A 23 -5.407 4.953 4.678 1.00 0.00 N ATOM 335 CA LEU A 23 -3.977 5.253 4.974 1.00 0.00 C ATOM 336 C LEU A 23 -3.747 6.767 4.986 1.00 0.00 C ATOM 337 O LEU A 23 -3.092 7.297 5.861 1.00 0.00 O ATOM 338 CB LEU A 23 -3.189 4.596 3.840 1.00 0.00 C ATOM 339 CG LEU A 23 -1.696 4.884 4.018 1.00 0.00 C ATOM 340 CD1 LEU A 23 -1.179 4.158 5.262 1.00 0.00 C ATOM 341 CD2 LEU A 23 -0.932 4.391 2.788 1.00 0.00 C ATOM 0 H LEU A 23 -5.564 4.233 3.973 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.669 4.878 5.950 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.364 3.520 3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.531 4.977 2.878 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.546 5.957 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.116 4.364 5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.723 4.508 6.140 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.330 3.085 5.146 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.131 4.596 2.914 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.084 3.318 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.298 4.908 1.901 1.00 0.00 H new ATOM 353 N GLY A 24 -4.283 7.467 4.023 1.00 0.00 N ATOM 354 CA GLY A 24 -4.093 8.946 3.983 1.00 0.00 C ATOM 355 C GLY A 24 -4.181 9.437 2.537 1.00 0.00 C ATOM 356 O GLY A 24 -5.212 9.910 2.102 1.00 0.00 O ATOM 0 H GLY A 24 -4.843 7.080 3.264 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -4.853 9.437 4.591 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.125 9.210 4.409 1.00 0.00 H new ATOM 360 N PRO A 25 -3.086 9.306 1.839 1.00 0.00 N ATOM 361 CA PRO A 25 -3.029 9.743 0.423 1.00 0.00 C ATOM 362 C PRO A 25 -4.210 9.173 -0.363 1.00 0.00 C ATOM 363 O PRO A 25 -4.816 8.196 0.025 1.00 0.00 O ATOM 364 CB PRO A 25 -1.709 9.169 -0.084 1.00 0.00 C ATOM 365 CG PRO A 25 -0.874 8.948 1.139 1.00 0.00 C ATOM 366 CD PRO A 25 -1.814 8.745 2.300 1.00 0.00 C ATOM 0 HA PRO A 25 -3.085 10.826 0.310 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -1.868 8.236 -0.624 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.221 9.857 -0.774 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.230 8.078 1.011 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.223 9.804 1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.913 7.689 2.552 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.456 9.254 3.195 1.00 0.00 H new ATOM 374 N VAL A 26 -4.534 9.787 -1.468 1.00 0.00 N ATOM 375 CA VAL A 26 -5.672 9.304 -2.300 1.00 0.00 C ATOM 376 C VAL A 26 -6.971 9.299 -1.485 1.00 0.00 C ATOM 377 O VAL A 26 -7.004 8.874 -0.347 1.00 0.00 O ATOM 378 CB VAL A 26 -5.291 7.884 -2.722 1.00 0.00 C ATOM 379 CG1 VAL A 26 -6.517 7.173 -3.296 1.00 0.00 C ATOM 380 CG2 VAL A 26 -4.196 7.948 -3.790 1.00 0.00 C ATOM 0 H VAL A 26 -4.054 10.610 -1.833 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.848 9.947 -3.162 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.926 7.334 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.244 6.161 -3.596 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.299 7.128 -2.538 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.883 7.722 -4.163 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.923 6.937 -4.092 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.564 8.499 -4.656 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -3.320 8.454 -3.383 1.00 0.00 H new ATOM 390 N LEU A 27 -8.044 9.770 -2.063 1.00 0.00 N ATOM 391 CA LEU A 27 -9.341 9.793 -1.326 1.00 0.00 C ATOM 392 C LEU A 27 -10.451 10.344 -2.227 1.00 0.00 C ATOM 393 O LEU A 27 -10.419 11.495 -2.617 1.00 0.00 O ATOM 394 CB LEU A 27 -9.105 10.727 -0.137 1.00 0.00 C ATOM 395 CG LEU A 27 -8.640 12.093 -0.642 1.00 0.00 C ATOM 396 CD1 LEU A 27 -9.673 13.156 -0.264 1.00 0.00 C ATOM 397 CD2 LEU A 27 -7.295 12.442 -0.002 1.00 0.00 C ATOM 0 H LEU A 27 -8.078 10.140 -3.013 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.653 8.798 -1.008 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.023 10.835 0.441 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.356 10.301 0.530 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.531 12.061 -1.726 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.341 14.130 -0.624 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.633 12.909 -0.718 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -9.782 13.188 0.820 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.963 13.416 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.405 12.474 1.082 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.557 11.685 -0.270 1.00 0.00 H new ATOM 409 N PRO A 28 -11.401 9.499 -2.527 1.00 0.00 N ATOM 410 CA PRO A 28 -12.533 9.903 -3.386 1.00 0.00 C ATOM 411 C PRO A 28 -13.330 11.021 -2.716 1.00 0.00 C ATOM 412 O PRO A 28 -13.756 11.950 -3.374 1.00 0.00 O ATOM 413 CB PRO A 28 -13.381 8.634 -3.521 1.00 0.00 C ATOM 414 CG PRO A 28 -12.506 7.516 -3.052 1.00 0.00 C ATOM 415 CD PRO A 28 -11.510 8.108 -2.098 1.00 0.00 C ATOM 0 HA PRO A 28 -12.212 10.287 -4.354 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -14.287 8.702 -2.919 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.695 8.480 -4.553 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -13.098 6.743 -2.561 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -12.000 7.043 -3.894 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.852 8.033 -1.066 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -10.549 7.596 -2.154 1.00 0.00 H new ATOM 423 N PRO A 29 -13.518 10.902 -1.424 1.00 0.00 N ATOM 424 CA PRO A 29 -14.275 11.922 -0.692 1.00 0.00 C ATOM 425 C PRO A 29 -13.893 13.329 -1.162 1.00 0.00 C ATOM 426 O PRO A 29 -12.731 13.674 -1.234 1.00 0.00 O ATOM 427 CB PRO A 29 -13.868 11.688 0.756 1.00 0.00 C ATOM 428 CG PRO A 29 -13.598 10.226 0.823 1.00 0.00 C ATOM 429 CD PRO A 29 -13.060 9.832 -0.526 1.00 0.00 C ATOM 0 HA PRO A 29 -15.352 11.850 -0.843 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -12.985 12.269 1.021 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -14.660 11.979 1.445 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -12.878 9.999 1.610 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -14.508 9.673 1.055 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -11.972 9.760 -0.515 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.441 8.860 -0.838 1.00 0.00 H new ATOM 437 N THR A 30 -14.861 14.141 -1.483 1.00 0.00 N ATOM 438 CA THR A 30 -14.548 15.523 -1.949 1.00 0.00 C ATOM 439 C THR A 30 -13.878 16.323 -0.829 1.00 0.00 C ATOM 440 O THR A 30 -13.586 15.801 0.230 1.00 0.00 O ATOM 441 CB THR A 30 -15.903 16.136 -2.309 1.00 0.00 C ATOM 442 OG1 THR A 30 -16.876 15.718 -1.362 1.00 0.00 O ATOM 443 CG2 THR A 30 -16.318 15.678 -3.708 1.00 0.00 C ATOM 0 H THR A 30 -15.854 13.909 -1.443 1.00 0.00 H new ATOM 0 HA THR A 30 -13.860 15.526 -2.795 1.00 0.00 H new ATOM 0 HB THR A 30 -15.826 17.223 -2.295 1.00 0.00 H new ATOM 0 HG1 THR A 30 -17.744 16.111 -1.590 1.00 0.00 H new ATOM 0 HG21 THR A 30 -17.283 16.116 -3.963 1.00 0.00 H new ATOM 0 HG22 THR A 30 -15.571 16.001 -4.433 1.00 0.00 H new ATOM 0 HG23 THR A 30 -16.396 14.591 -3.727 1.00 0.00 H new ATOM 451 N ASN A 31 -13.631 17.584 -1.053 1.00 0.00 N ATOM 452 CA ASN A 31 -12.980 18.417 -0.001 1.00 0.00 C ATOM 453 C ASN A 31 -14.006 19.356 0.639 1.00 0.00 C ATOM 454 O ASN A 31 -13.663 20.375 1.206 1.00 0.00 O ATOM 455 CB ASN A 31 -11.910 19.222 -0.739 1.00 0.00 C ATOM 456 CG ASN A 31 -10.533 18.899 -0.156 1.00 0.00 C ATOM 457 OD1 ASN A 31 -9.759 18.184 -0.760 1.00 0.00 O ATOM 458 ND2 ASN A 31 -10.194 19.400 0.999 1.00 0.00 N ATOM 0 H ASN A 31 -13.852 18.075 -1.920 1.00 0.00 H new ATOM 0 HA ASN A 31 -12.557 17.812 0.801 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.931 18.985 -1.803 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -12.114 20.289 -0.646 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -9.278 19.192 1.396 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -10.845 20.000 1.505 1.00 0.00 H new ATOM 465 N VAL A 32 -15.264 19.021 0.550 1.00 0.00 N ATOM 466 CA VAL A 32 -16.313 19.894 1.150 1.00 0.00 C ATOM 467 C VAL A 32 -16.493 19.565 2.635 1.00 0.00 C ATOM 468 O VAL A 32 -16.951 20.381 3.409 1.00 0.00 O ATOM 469 CB VAL A 32 -17.585 19.572 0.368 1.00 0.00 C ATOM 470 CG1 VAL A 32 -18.765 20.336 0.972 1.00 0.00 C ATOM 471 CG2 VAL A 32 -17.403 19.989 -1.094 1.00 0.00 C ATOM 0 H VAL A 32 -15.611 18.181 0.088 1.00 0.00 H new ATOM 0 HA VAL A 32 -16.055 20.951 1.092 1.00 0.00 H new ATOM 0 HB VAL A 32 -17.782 18.501 0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -19.672 20.105 0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.895 20.041 2.013 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -18.570 21.407 0.921 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -18.310 19.760 -1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -17.206 21.060 -1.145 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -16.563 19.445 -1.526 1.00 0.00 H new ATOM 481 N GLY A 33 -16.133 18.377 3.038 1.00 0.00 N ATOM 482 CA GLY A 33 -16.281 18.001 4.473 1.00 0.00 C ATOM 483 C GLY A 33 -17.754 18.081 4.876 1.00 0.00 C ATOM 484 O GLY A 33 -18.103 18.680 5.875 1.00 0.00 O ATOM 0 H GLY A 33 -15.743 17.651 2.437 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.904 16.991 4.635 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.686 18.668 5.097 1.00 0.00 H new ATOM 488 N SER A 34 -18.623 17.483 4.108 1.00 0.00 N ATOM 489 CA SER A 34 -20.074 17.527 4.449 1.00 0.00 C ATOM 490 C SER A 34 -20.601 18.959 4.339 1.00 0.00 C ATOM 491 O SER A 34 -19.895 19.912 4.602 1.00 0.00 O ATOM 492 CB SER A 34 -20.157 17.035 5.893 1.00 0.00 C ATOM 493 OG SER A 34 -21.469 16.552 6.151 1.00 0.00 O ATOM 0 H SER A 34 -18.392 16.966 3.260 1.00 0.00 H new ATOM 0 HA SER A 34 -20.674 16.916 3.775 1.00 0.00 H new ATOM 0 HB2 SER A 34 -19.426 16.244 6.062 1.00 0.00 H new ATOM 0 HB3 SER A 34 -19.914 17.846 6.580 1.00 0.00 H new ATOM 0 HG SER A 34 -21.524 16.234 7.076 1.00 0.00 H new ATOM 499 N ASN A 35 -21.838 19.119 3.954 1.00 0.00 N ATOM 500 CA ASN A 35 -22.407 20.491 3.830 1.00 0.00 C ATOM 501 C ASN A 35 -23.907 20.415 3.532 1.00 0.00 C ATOM 502 O ASN A 35 -24.365 19.536 2.829 1.00 0.00 O ATOM 503 CB ASN A 35 -21.661 21.125 2.656 1.00 0.00 C ATOM 504 CG ASN A 35 -21.185 22.524 3.051 1.00 0.00 C ATOM 505 OD1 ASN A 35 -21.960 23.460 3.074 1.00 0.00 O ATOM 506 ND2 ASN A 35 -19.932 22.706 3.367 1.00 0.00 N ATOM 0 H ASN A 35 -22.478 18.360 3.720 1.00 0.00 H new ATOM 0 HA ASN A 35 -22.293 21.070 4.746 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -20.810 20.505 2.375 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -22.314 21.184 1.785 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -19.603 23.634 3.633 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -19.282 21.920 3.348 1.00 0.00 H new ATOM 513 N THR A 36 -24.674 21.329 4.058 1.00 0.00 N ATOM 514 CA THR A 36 -26.142 21.304 3.799 1.00 0.00 C ATOM 515 C THR A 36 -26.403 21.103 2.304 1.00 0.00 C ATOM 516 O THR A 36 -25.496 21.141 1.496 1.00 0.00 O ATOM 517 CB THR A 36 -26.649 22.674 4.256 1.00 0.00 C ATOM 518 OG1 THR A 36 -26.358 22.850 5.636 1.00 0.00 O ATOM 519 CG2 THR A 36 -28.162 22.759 4.038 1.00 0.00 C ATOM 0 H THR A 36 -24.350 22.090 4.654 1.00 0.00 H new ATOM 0 HA THR A 36 -26.645 20.492 4.324 1.00 0.00 H new ATOM 0 HB THR A 36 -26.155 23.455 3.678 1.00 0.00 H new ATOM 0 HG1 THR A 36 -26.681 23.728 5.929 1.00 0.00 H new ATOM 0 HG21 THR A 36 -28.522 23.735 4.364 1.00 0.00 H new ATOM 0 HG22 THR A 36 -28.385 22.624 2.980 1.00 0.00 H new ATOM 0 HG23 THR A 36 -28.657 21.978 4.615 1.00 0.00 H new ATOM 527 N TYR A 37 -27.634 20.890 1.927 1.00 0.00 N ATOM 528 CA TYR A 37 -27.944 20.686 0.483 1.00 0.00 C ATOM 529 C TYR A 37 -27.658 21.968 -0.304 1.00 0.00 C ATOM 530 O TYR A 37 -27.270 22.973 0.259 1.00 0.00 O ATOM 531 CB TYR A 37 -29.434 20.353 0.442 1.00 0.00 C ATOM 532 CG TYR A 37 -30.207 21.422 1.174 1.00 0.00 C ATOM 533 CD1 TYR A 37 -30.282 22.716 0.646 1.00 0.00 C ATOM 534 CD2 TYR A 37 -30.847 21.120 2.381 1.00 0.00 C ATOM 535 CE1 TYR A 37 -30.998 23.709 1.326 1.00 0.00 C ATOM 536 CE2 TYR A 37 -31.563 22.112 3.061 1.00 0.00 C ATOM 537 CZ TYR A 37 -31.639 23.406 2.534 1.00 0.00 C ATOM 538 OH TYR A 37 -32.344 24.384 3.205 1.00 0.00 O ATOM 0 H TYR A 37 -28.437 20.848 2.555 1.00 0.00 H new ATOM 0 HA TYR A 37 -27.338 19.897 0.037 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -29.774 20.286 -0.591 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -29.613 19.381 0.901 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -29.788 22.949 -0.286 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -30.789 20.121 2.788 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -31.056 24.708 0.919 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -32.057 21.879 3.993 1.00 0.00 H new ATOM 0 HH TYR A 37 -32.728 24.007 4.024 1.00 0.00 H new HETATM 548 N NH2 A 38 -27.834 21.976 -1.597 1.00 0.00 N TER 551 NH2 A 38