USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 262 hydrogens (0 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 -93:sc= 0.17 USER MOD Set 1.2: A 31 ASN : amide:sc= -3.71! C(o=-3.5!,f=-15!) USER MOD Single : A 1 LYS N :NH3+ 159:sc= 0 (180deg=-0.326) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.562 X(o=-0.56,f=-0.63) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 156:sc= -0.522! USER MOD Single : A 10 GLN : amide:sc= -2.24! K(o=-2.2!,f=-1) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.0158 X(o=-0.016,f=0) USER MOD Single : A 19 SER OG : rot -83:sc= 0.693 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 X(o=0,f=-0.094) USER MOD Single : A 28 SER OG : rot 68:sc= 1.16 USER MOD Single : A 29 SER OG : rot 4:sc= 0.827 USER MOD Single : A 34 SER OG : rot 29:sc= 0.259 USER MOD Single : A 35 ASN : amide:sc= -1 X(o=-1,f=-0.97) USER MOD Single : A 36 THR OG1 : rot 55:sc= 0.262 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -9.834 -25.498 -4.997 1.00 0.00 N ATOM 2 CA LYS A 1 -8.815 -26.572 -5.194 1.00 1.50 C ATOM 3 C LYS A 1 -7.477 -26.163 -4.569 1.00 0.00 C ATOM 4 O LYS A 1 -6.443 -26.218 -5.203 1.00 0.00 O ATOM 5 CB LYS A 1 -8.678 -26.727 -6.711 1.00 0.00 C ATOM 6 CG LYS A 1 -8.166 -25.419 -7.320 1.00 0.00 C ATOM 7 CD LYS A 1 -7.357 -25.728 -8.582 1.00 0.00 C ATOM 8 CE LYS A 1 -8.206 -25.429 -9.820 1.00 0.00 C ATOM 9 NZ LYS A 1 -7.451 -26.030 -10.956 1.00 0.00 N ATOM 0 H1 LYS A 1 -10.594 -25.607 -5.699 1.00 0.00 H new ATOM 0 H2 LYS A 1 -10.234 -25.570 -4.040 1.00 0.00 H new ATOM 0 H3 LYS A 1 -9.385 -24.567 -5.115 1.00 0.00 H new ATOM 0 HA LYS A 1 -9.111 -27.507 -4.718 1.00 1.50 H new ATOM 0 HB2 LYS A 1 -7.990 -27.541 -6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -9.641 -26.990 -7.148 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -9.004 -24.766 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -7.546 -24.887 -6.598 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -6.447 -25.129 -8.599 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -7.050 -26.774 -8.583 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -9.201 -25.865 -9.732 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -8.340 -24.356 -9.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -7.970 -25.867 -11.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -6.511 -25.590 -11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -7.345 -27.053 -10.800 1.00 0.00 H new ATOM 25 N CYS A 2 -7.492 -25.762 -3.328 1.00 0.00 N ATOM 26 CA CYS A 2 -6.226 -25.356 -2.654 1.00 1.50 C ATOM 27 C CYS A 2 -6.247 -25.812 -1.187 1.00 0.00 C ATOM 28 O CYS A 2 -6.206 -26.992 -0.898 1.00 0.00 O ATOM 29 CB CYS A 2 -6.201 -23.832 -2.744 1.00 0.00 C ATOM 30 SG CYS A 2 -6.496 -23.301 -4.445 1.00 0.00 S ATOM 0 H CYS A 2 -8.329 -25.698 -2.749 1.00 0.00 H new ATOM 0 HA CYS A 2 -5.345 -25.802 -3.116 1.00 1.50 H new ATOM 0 HB2 CYS A 2 -6.961 -23.409 -2.087 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -5.237 -23.456 -2.400 1.00 0.00 H new ATOM 35 N ASN A 3 -6.312 -24.892 -0.255 1.00 0.00 N ATOM 36 CA ASN A 3 -6.335 -25.283 1.180 1.00 3.20 C ATOM 37 C ASN A 3 -6.994 -24.183 2.023 1.00 0.00 C ATOM 38 O ASN A 3 -6.868 -24.163 3.231 1.00 0.00 O ATOM 39 CB ASN A 3 -4.865 -25.443 1.562 1.00 0.00 C ATOM 40 CG ASN A 3 -4.759 -26.220 2.874 1.00 0.00 C ATOM 41 OD1 ASN A 3 -4.895 -25.656 3.942 1.00 0.00 O ATOM 42 ND2 ASN A 3 -4.520 -27.503 2.839 1.00 0.00 N ATOM 0 H ASN A 3 -6.350 -23.888 -0.431 1.00 0.00 H new ATOM 0 HA ASN A 3 -6.907 -26.195 1.352 1.00 3.20 H new ATOM 0 HB2 ASN A 3 -4.328 -25.968 0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -4.398 -24.464 1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -4.447 -28.032 3.708 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -4.406 -27.976 1.943 1.00 0.00 H new ATOM 49 N THR A 4 -7.690 -23.266 1.400 1.00 0.00 N ATOM 50 CA THR A 4 -8.348 -22.173 2.160 1.00 2.50 C ATOM 51 C THR A 4 -7.316 -21.165 2.625 1.00 0.00 C ATOM 52 O THR A 4 -7.091 -20.169 1.972 1.00 0.00 O ATOM 53 CB THR A 4 -9.076 -22.845 3.333 1.00 0.00 C ATOM 54 OG1 THR A 4 -9.635 -24.074 2.895 1.00 0.00 O ATOM 55 CG2 THR A 4 -10.191 -21.928 3.840 1.00 0.00 C ATOM 0 H THR A 4 -7.829 -23.232 0.390 1.00 0.00 H new ATOM 0 HA THR A 4 -9.059 -21.617 1.549 1.00 2.50 H new ATOM 0 HB THR A 4 -8.369 -23.032 4.141 1.00 0.00 H new ATOM 0 HG1 THR A 4 -10.099 -24.507 3.642 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.706 -22.407 4.672 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.762 -20.984 4.174 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.901 -21.739 3.035 1.00 0.00 H new ATOM 63 N ALA A 5 -6.645 -21.413 3.706 1.00 0.00 N ATOM 64 CA ALA A 5 -5.607 -20.446 4.135 1.00 2.90 C ATOM 65 C ALA A 5 -4.755 -20.077 2.922 1.00 0.00 C ATOM 66 O ALA A 5 -4.109 -19.052 2.887 1.00 0.00 O ATOM 67 CB ALA A 5 -4.771 -21.196 5.171 1.00 0.00 C ATOM 0 H ALA A 5 -6.766 -22.230 4.304 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.020 -19.526 4.549 1.00 2.90 H new ATOM 0 HB1 ALA A 5 -3.978 -20.545 5.539 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -5.408 -21.498 6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.331 -22.081 4.712 1.00 0.00 H new ATOM 73 N THR A 6 -4.775 -20.905 1.907 1.00 0.00 N ATOM 74 CA THR A 6 -3.974 -20.602 0.691 1.00 3.40 C ATOM 75 C THR A 6 -4.808 -19.805 -0.308 1.00 0.00 C ATOM 76 O THR A 6 -4.736 -18.594 -0.366 1.00 0.00 O ATOM 77 CB THR A 6 -3.604 -21.969 0.115 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.654 -22.597 0.965 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.006 -21.793 -1.281 1.00 0.00 C ATOM 0 H THR A 6 -5.310 -21.773 1.872 1.00 0.00 H new ATOM 0 HA THR A 6 -3.093 -20.000 0.914 1.00 3.40 H new ATOM 0 HB THR A 6 -4.498 -22.589 0.047 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.417 -23.474 0.598 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.743 -22.769 -1.690 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.736 -21.312 -1.932 1.00 0.00 H new ATOM 0 HG23 THR A 6 -2.112 -21.173 -1.218 1.00 0.00 H new ATOM 87 N CYS A 7 -5.600 -20.475 -1.097 1.00 0.00 N ATOM 88 CA CYS A 7 -6.434 -19.750 -2.094 1.00 2.00 C ATOM 89 C CYS A 7 -7.376 -18.781 -1.381 1.00 0.00 C ATOM 90 O CYS A 7 -7.769 -17.773 -1.933 1.00 0.00 O ATOM 91 CB CYS A 7 -7.226 -20.830 -2.827 1.00 0.00 C ATOM 92 SG CYS A 7 -6.361 -21.286 -4.355 1.00 0.00 S ATOM 0 H CYS A 7 -5.706 -21.490 -1.095 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.830 -19.161 -2.784 1.00 2.00 H new ATOM 0 HB2 CYS A 7 -7.344 -21.706 -2.188 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.227 -20.467 -3.058 1.00 0.00 H new ATOM 97 N ALA A 8 -7.738 -19.063 -0.158 1.00 0.00 N ATOM 98 CA ALA A 8 -8.647 -18.126 0.555 1.00 1.40 C ATOM 99 C ALA A 8 -7.854 -16.913 1.043 1.00 0.00 C ATOM 100 O ALA A 8 -8.255 -15.787 0.837 1.00 0.00 O ATOM 101 CB ALA A 8 -9.247 -18.895 1.732 1.00 0.00 C ATOM 0 H ALA A 8 -7.449 -19.887 0.369 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.438 -17.761 -0.100 1.00 1.40 H new ATOM 0 HB1 ALA A 8 -9.923 -18.243 2.286 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.799 -19.758 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.448 -19.233 2.392 1.00 0.00 H new ATOM 107 N THR A 9 -6.720 -17.118 1.672 1.00 0.00 N ATOM 108 CA THR A 9 -5.936 -15.941 2.128 1.00 1.60 C ATOM 109 C THR A 9 -5.423 -15.184 0.904 1.00 0.00 C ATOM 110 O THR A 9 -5.139 -14.004 0.963 1.00 0.00 O ATOM 111 CB THR A 9 -4.778 -16.510 2.948 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.295 -17.377 3.948 1.00 0.00 O ATOM 113 CG2 THR A 9 -4.016 -15.363 3.612 1.00 0.00 C ATOM 0 H THR A 9 -6.316 -18.030 1.883 1.00 0.00 H new ATOM 0 HA THR A 9 -6.525 -15.244 2.724 1.00 1.60 H new ATOM 0 HB THR A 9 -4.103 -17.065 2.296 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.602 -18.016 4.217 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.190 -15.766 4.197 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.625 -14.694 2.845 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.689 -14.810 4.267 1.00 0.00 H new ATOM 121 N GLN A 10 -5.320 -15.854 -0.215 1.00 0.00 N ATOM 122 CA GLN A 10 -4.850 -15.177 -1.446 1.00 1.60 C ATOM 123 C GLN A 10 -6.041 -14.527 -2.150 1.00 0.00 C ATOM 124 O GLN A 10 -5.892 -13.642 -2.971 1.00 0.00 O ATOM 125 CB GLN A 10 -4.239 -16.282 -2.310 1.00 0.00 C ATOM 126 CG GLN A 10 -2.789 -16.526 -1.883 1.00 0.00 C ATOM 127 CD GLN A 10 -1.964 -15.260 -2.125 1.00 0.00 C ATOM 128 OE1 GLN A 10 -1.334 -15.119 -3.155 1.00 0.00 O ATOM 129 NE2 GLN A 10 -1.943 -14.327 -1.214 1.00 0.00 N ATOM 0 H GLN A 10 -5.543 -16.843 -0.323 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.123 -14.391 -1.243 1.00 1.60 H new ATOM 0 HB2 GLN A 10 -4.818 -17.200 -2.207 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.276 -15.998 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -2.751 -16.801 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.369 -17.360 -2.446 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -2.472 -14.446 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -1.398 -13.478 -1.366 1.00 0.00 H new ATOM 138 N ARG A 11 -7.230 -14.932 -1.794 1.00 0.00 N ATOM 139 CA ARG A 11 -8.440 -14.320 -2.402 1.00 1.30 C ATOM 140 C ARG A 11 -8.822 -13.170 -1.503 1.00 0.00 C ATOM 141 O ARG A 11 -9.100 -12.068 -1.929 1.00 0.00 O ATOM 142 CB ARG A 11 -9.512 -15.413 -2.374 1.00 0.00 C ATOM 143 CG ARG A 11 -9.759 -15.928 -3.792 1.00 0.00 C ATOM 144 CD ARG A 11 -8.424 -16.295 -4.443 1.00 0.00 C ATOM 145 NE ARG A 11 -8.716 -17.508 -5.253 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.411 -17.534 -6.522 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.274 -17.120 -7.409 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.243 -17.974 -6.903 1.00 0.00 N ATOM 0 H ARG A 11 -7.413 -15.663 -1.106 1.00 0.00 H new ATOM 0 HA ARG A 11 -8.302 -13.958 -3.421 1.00 1.30 H new ATOM 0 HB2 ARG A 11 -9.193 -16.232 -1.729 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.437 -15.018 -1.954 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.414 -16.799 -3.765 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.267 -15.166 -4.384 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.052 -15.483 -5.067 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.660 -16.495 -3.692 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.154 -18.319 -4.817 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.187 -16.776 -7.111 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.036 -17.140 -8.401 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.569 -18.297 -6.209 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.004 -17.994 -7.894 1.00 0.00 H new ATOM 162 N LEU A 12 -8.784 -13.442 -0.237 1.00 0.00 N ATOM 163 CA LEU A 12 -9.084 -12.410 0.770 1.00 2.10 C ATOM 164 C LEU A 12 -7.999 -11.332 0.724 1.00 0.00 C ATOM 165 O LEU A 12 -8.270 -10.154 0.853 1.00 0.00 O ATOM 166 CB LEU A 12 -9.048 -13.185 2.083 1.00 0.00 C ATOM 167 CG LEU A 12 -10.453 -13.684 2.431 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.382 -14.595 3.660 1.00 0.00 C ATOM 169 CD2 LEU A 12 -11.359 -12.490 2.737 1.00 0.00 C ATOM 0 H LEU A 12 -8.552 -14.358 0.147 1.00 0.00 H new ATOM 0 HA LEU A 12 -10.035 -11.898 0.621 1.00 2.10 H new ATOM 0 HB2 LEU A 12 -8.363 -14.029 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.671 -12.547 2.882 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.858 -14.241 1.586 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.382 -14.950 3.908 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.737 -15.447 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.976 -14.037 4.504 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -12.359 -12.846 2.985 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.953 -11.932 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -11.411 -11.840 1.864 1.00 0.00 H new ATOM 181 N ALA A 13 -6.774 -11.730 0.514 1.00 0.00 N ATOM 182 CA ALA A 13 -5.672 -10.732 0.432 1.00 1.50 C ATOM 183 C ALA A 13 -5.809 -9.943 -0.870 1.00 0.00 C ATOM 184 O ALA A 13 -5.435 -8.790 -0.960 1.00 0.00 O ATOM 185 CB ALA A 13 -4.382 -11.552 0.432 1.00 0.00 C ATOM 0 H ALA A 13 -6.490 -12.702 0.396 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.687 -10.018 1.256 1.00 1.50 H new ATOM 0 HB1 ALA A 13 -3.525 -10.881 0.373 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.323 -12.137 1.350 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.377 -12.223 -0.427 1.00 0.00 H new ATOM 191 N ASN A 14 -6.365 -10.562 -1.876 1.00 0.00 N ATOM 192 CA ASN A 14 -6.559 -9.866 -3.174 1.00 2.60 C ATOM 193 C ASN A 14 -7.459 -8.659 -2.946 1.00 0.00 C ATOM 194 O ASN A 14 -7.180 -7.566 -3.397 1.00 0.00 O ATOM 195 CB ASN A 14 -7.250 -10.888 -4.078 1.00 0.00 C ATOM 196 CG ASN A 14 -6.854 -10.634 -5.533 1.00 0.00 C ATOM 197 OD1 ASN A 14 -7.481 -9.850 -6.218 1.00 0.00 O ATOM 198 ND2 ASN A 14 -5.834 -11.272 -6.038 1.00 0.00 N ATOM 0 H ASN A 14 -6.695 -11.527 -1.851 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.627 -9.514 -3.616 1.00 2.60 H new ATOM 0 HB2 ASN A 14 -6.967 -11.899 -3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.332 -10.815 -3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -5.562 -11.113 -7.008 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.308 -11.930 -5.463 1.00 0.00 H new ATOM 205 N PHE A 15 -8.524 -8.844 -2.216 1.00 0.00 N ATOM 206 CA PHE A 15 -9.421 -7.694 -1.929 1.00 2.10 C ATOM 207 C PHE A 15 -8.669 -6.729 -1.022 1.00 0.00 C ATOM 208 O PHE A 15 -8.986 -5.560 -0.931 1.00 0.00 O ATOM 209 CB PHE A 15 -10.642 -8.274 -1.205 1.00 0.00 C ATOM 210 CG PHE A 15 -11.024 -9.603 -1.813 1.00 0.00 C ATOM 211 CD1 PHE A 15 -11.120 -9.739 -3.203 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.283 -10.699 -0.982 1.00 0.00 C ATOM 213 CE1 PHE A 15 -11.472 -10.974 -3.762 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.635 -11.933 -1.540 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.731 -12.071 -2.930 1.00 0.00 C ATOM 0 H PHE A 15 -8.809 -9.735 -1.809 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.730 -7.161 -2.828 1.00 2.10 H new ATOM 0 HB2 PHE A 15 -10.420 -8.401 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.479 -7.580 -1.274 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.923 -8.892 -3.844 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.211 -10.592 0.090 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -11.544 -11.081 -4.834 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.833 -12.779 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 15 -12.005 -13.023 -3.361 1.00 0.00 H new ATOM 225 N LEU A 16 -7.656 -7.217 -0.355 1.00 0.00 N ATOM 226 CA LEU A 16 -6.864 -6.331 0.539 1.00 2.30 C ATOM 227 C LEU A 16 -6.258 -5.194 -0.283 1.00 0.00 C ATOM 228 O LEU A 16 -6.326 -4.039 0.087 1.00 0.00 O ATOM 229 CB LEU A 16 -5.763 -7.220 1.115 1.00 0.00 C ATOM 230 CG LEU A 16 -5.535 -6.865 2.585 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.683 -7.421 3.429 1.00 0.00 C ATOM 232 CD2 LEU A 16 -4.214 -7.477 3.055 1.00 0.00 C ATOM 0 H LEU A 16 -7.346 -8.188 -0.392 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.469 -5.882 1.327 1.00 2.30 H new ATOM 0 HB2 LEU A 16 -6.043 -8.269 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.840 -7.086 0.550 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.496 -5.781 2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.520 -7.168 4.477 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.625 -6.987 3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.723 -8.505 3.320 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.049 -7.226 4.103 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.255 -8.561 2.944 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.395 -7.082 2.454 1.00 0.00 H new ATOM 244 N VAL A 17 -5.668 -5.517 -1.402 1.00 0.00 N ATOM 245 CA VAL A 17 -5.057 -4.453 -2.255 1.00 6.20 C ATOM 246 C VAL A 17 -6.082 -3.920 -3.263 1.00 0.00 C ATOM 247 O VAL A 17 -6.218 -2.726 -3.458 1.00 0.00 O ATOM 248 CB VAL A 17 -3.903 -5.143 -2.984 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.125 -4.112 -3.803 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.967 -5.790 -1.960 1.00 0.00 C ATOM 0 H VAL A 17 -5.582 -6.467 -1.763 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.719 -3.600 -1.666 1.00 6.20 H new ATOM 0 HB VAL A 17 -4.302 -5.909 -3.649 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.303 -4.605 -4.322 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.790 -3.650 -4.533 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.727 -3.345 -3.139 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.144 -6.282 -2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.570 -5.023 -1.295 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.520 -6.526 -1.376 1.00 0.00 H new ATOM 260 N HIS A 18 -6.797 -4.799 -3.908 1.00 0.00 N ATOM 261 CA HIS A 18 -7.806 -4.359 -4.914 1.00 4.20 C ATOM 262 C HIS A 18 -8.920 -3.551 -4.247 1.00 0.00 C ATOM 263 O HIS A 18 -9.335 -2.522 -4.741 1.00 0.00 O ATOM 264 CB HIS A 18 -8.366 -5.657 -5.493 1.00 0.00 C ATOM 265 CG HIS A 18 -7.466 -6.140 -6.595 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.960 -6.796 -7.728 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.100 -6.074 -6.761 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.907 -7.094 -8.518 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.782 -6.673 -7.963 1.00 0.00 N ATOM 0 H HIS A 18 -6.726 -5.809 -3.781 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.369 -3.716 -5.678 1.00 4.20 H new ATOM 0 HB2 HIS A 18 -8.442 -6.414 -4.712 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.373 -5.493 -5.876 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.399 -5.630 -6.070 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.973 -7.604 -9.468 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.845 -6.773 -8.354 1.00 0.00 H new ATOM 277 N SER A 19 -9.415 -4.014 -3.136 1.00 0.00 N ATOM 278 CA SER A 19 -10.513 -3.272 -2.451 1.00 9.10 C ATOM 279 C SER A 19 -9.956 -2.071 -1.685 1.00 0.00 C ATOM 280 O SER A 19 -10.540 -1.006 -1.673 1.00 0.00 O ATOM 281 CB SER A 19 -11.135 -4.285 -1.490 1.00 0.00 C ATOM 282 OG SER A 19 -10.626 -4.066 -0.181 1.00 0.00 O ATOM 0 H SER A 19 -9.110 -4.870 -2.672 1.00 0.00 H new ATOM 0 HA SER A 19 -11.243 -2.877 -3.157 1.00 9.10 H new ATOM 0 HB2 SER A 19 -12.220 -4.186 -1.492 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.907 -5.300 -1.816 1.00 0.00 H new ATOM 0 HG SER A 19 -9.759 -4.514 -0.088 1.00 0.00 H new ATOM 288 N SER A 20 -8.836 -2.234 -1.042 1.00 0.00 N ATOM 289 CA SER A 20 -8.248 -1.102 -0.272 1.00 10.00 C ATOM 290 C SER A 20 -8.264 0.181 -1.105 1.00 0.00 C ATOM 291 O SER A 20 -8.530 1.255 -0.603 1.00 0.00 O ATOM 292 CB SER A 20 -6.811 -1.524 0.028 1.00 0.00 C ATOM 293 OG SER A 20 -6.021 -0.368 0.271 1.00 0.00 O ATOM 0 H SER A 20 -8.301 -3.102 -1.015 1.00 0.00 H new ATOM 0 HA SER A 20 -8.811 -0.894 0.638 1.00 10.00 H new ATOM 0 HB2 SER A 20 -6.787 -2.183 0.896 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.403 -2.087 -0.811 1.00 0.00 H new ATOM 0 HG SER A 20 -5.099 -0.637 0.465 1.00 0.00 H new ATOM 299 N ASN A 21 -7.965 0.082 -2.369 1.00 0.00 N ATOM 300 CA ASN A 21 -7.946 1.307 -3.225 1.00 7.70 C ATOM 301 C ASN A 21 -9.315 1.564 -3.864 1.00 0.00 C ATOM 302 O ASN A 21 -9.725 2.696 -4.034 1.00 0.00 O ATOM 303 CB ASN A 21 -6.898 1.024 -4.299 1.00 0.00 C ATOM 304 CG ASN A 21 -5.533 1.515 -3.813 1.00 0.00 C ATOM 305 OD1 ASN A 21 -4.788 0.770 -3.209 1.00 0.00 O ATOM 306 ND2 ASN A 21 -5.174 2.747 -4.050 1.00 0.00 N ATOM 0 H ASN A 21 -7.733 -0.788 -2.848 1.00 0.00 H new ATOM 0 HA ASN A 21 -7.712 2.198 -2.642 1.00 7.70 H new ATOM 0 HB2 ASN A 21 -6.858 -0.044 -4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.168 1.525 -5.228 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -4.267 3.085 -3.728 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -5.800 3.372 -4.557 1.00 0.00 H new ATOM 313 N ASN A 22 -10.020 0.533 -4.229 1.00 0.00 N ATOM 314 CA ASN A 22 -11.352 0.736 -4.869 1.00 9.10 C ATOM 315 C ASN A 22 -12.415 1.066 -3.818 1.00 0.00 C ATOM 316 O ASN A 22 -13.155 2.021 -3.948 1.00 0.00 O ATOM 317 CB ASN A 22 -11.671 -0.591 -5.558 1.00 0.00 C ATOM 318 CG ASN A 22 -12.109 -0.323 -6.999 1.00 0.00 C ATOM 319 OD1 ASN A 22 -12.934 0.535 -7.244 1.00 0.00 O ATOM 320 ND2 ASN A 22 -11.589 -1.024 -7.969 1.00 0.00 N ATOM 0 H ASN A 22 -9.735 -0.440 -4.114 1.00 0.00 H new ATOM 0 HA ASN A 22 -11.341 1.569 -5.572 1.00 9.10 H new ATOM 0 HB2 ASN A 22 -10.795 -1.239 -5.547 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -12.460 -1.114 -5.018 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -11.875 -0.852 -8.933 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -10.897 -1.744 -7.763 1.00 0.00 H new ATOM 327 N PHE A 23 -12.499 0.282 -2.784 1.00 0.00 N ATOM 328 CA PHE A 23 -13.521 0.546 -1.729 1.00 9.10 C ATOM 329 C PHE A 23 -13.294 1.932 -1.105 1.00 0.00 C ATOM 330 O PHE A 23 -14.191 2.517 -0.532 1.00 0.00 O ATOM 331 CB PHE A 23 -13.333 -0.598 -0.711 1.00 0.00 C ATOM 332 CG PHE A 23 -13.022 -0.062 0.672 1.00 0.00 C ATOM 333 CD1 PHE A 23 -11.712 0.305 1.004 1.00 0.00 C ATOM 334 CD2 PHE A 23 -14.046 0.066 1.617 1.00 0.00 C ATOM 335 CE1 PHE A 23 -11.426 0.800 2.282 1.00 0.00 C ATOM 336 CE2 PHE A 23 -13.761 0.561 2.895 1.00 0.00 C ATOM 337 CZ PHE A 23 -12.452 0.928 3.228 1.00 0.00 C ATOM 0 H PHE A 23 -11.906 -0.531 -2.620 1.00 0.00 H new ATOM 0 HA PHE A 23 -14.541 0.564 -2.113 1.00 9.10 H new ATOM 0 HB2 PHE A 23 -14.237 -1.205 -0.673 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.525 -1.251 -1.040 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.922 0.206 0.274 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -15.056 -0.217 1.360 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.416 1.083 2.539 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -14.551 0.660 3.624 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.233 1.310 4.214 1.00 0.00 H new ATOM 347 N GLY A 24 -12.106 2.458 -1.211 1.00 0.00 N ATOM 348 CA GLY A 24 -11.837 3.798 -0.620 1.00 7.10 C ATOM 349 C GLY A 24 -12.135 4.885 -1.655 1.00 0.00 C ATOM 350 O GLY A 24 -12.403 6.021 -1.317 1.00 0.00 O ATOM 0 H GLY A 24 -11.313 2.020 -1.679 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.454 3.946 0.266 1.00 7.10 H new ATOM 0 HA3 GLY A 24 -10.797 3.863 -0.299 1.00 7.10 H new ATOM 354 N ALA A 25 -12.090 4.546 -2.914 1.00 0.00 N ATOM 355 CA ALA A 25 -12.371 5.562 -3.967 1.00 25.00 C ATOM 356 C ALA A 25 -13.872 5.868 -4.026 1.00 0.00 C ATOM 357 O ALA A 25 -14.280 6.929 -4.455 1.00 0.00 O ATOM 358 CB ALA A 25 -11.898 4.916 -5.271 1.00 0.00 C ATOM 0 H ALA A 25 -11.871 3.611 -3.259 1.00 0.00 H new ATOM 0 HA ALA A 25 -11.867 6.509 -3.774 1.00 25.00 H new ATOM 0 HB1 ALA A 25 -12.070 5.602 -6.100 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.834 4.692 -5.201 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.453 3.994 -5.442 1.00 0.00 H new ATOM 364 N ILE A 26 -14.695 4.952 -3.589 1.00 0.00 N ATOM 365 CA ILE A 26 -16.167 5.198 -3.610 1.00 5.90 C ATOM 366 C ILE A 26 -16.559 5.794 -2.274 1.00 0.00 C ATOM 367 O ILE A 26 -17.251 6.788 -2.193 1.00 0.00 O ATOM 368 CB ILE A 26 -16.797 3.821 -3.832 1.00 0.00 C ATOM 369 CG1 ILE A 26 -15.960 3.029 -4.853 1.00 0.00 C ATOM 370 CG2 ILE A 26 -18.222 3.987 -4.363 1.00 0.00 C ATOM 371 CD1 ILE A 26 -15.389 3.978 -5.920 1.00 0.00 C ATOM 0 H ILE A 26 -14.412 4.045 -3.219 1.00 0.00 H new ATOM 0 HA ILE A 26 -16.493 5.891 -4.386 1.00 5.90 H new ATOM 0 HB ILE A 26 -16.823 3.281 -2.886 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -15.147 2.511 -4.344 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -16.577 2.266 -5.327 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -18.668 3.005 -4.520 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -18.817 4.545 -3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -18.197 4.530 -5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -14.799 3.407 -6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -16.208 4.476 -6.439 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -14.755 4.725 -5.441 1.00 0.00 H new ATOM 383 N LEU A 27 -16.049 5.225 -1.226 1.00 0.00 N ATOM 384 CA LEU A 27 -16.306 5.787 0.114 1.00 5.90 C ATOM 385 C LEU A 27 -15.949 7.272 0.055 1.00 0.00 C ATOM 386 O LEU A 27 -16.434 8.087 0.814 1.00 0.00 O ATOM 387 CB LEU A 27 -15.337 5.019 1.010 1.00 0.00 C ATOM 388 CG LEU A 27 -16.016 3.767 1.585 1.00 0.00 C ATOM 389 CD1 LEU A 27 -16.840 4.154 2.812 1.00 0.00 C ATOM 390 CD2 LEU A 27 -16.937 3.129 0.537 1.00 0.00 C ATOM 0 H LEU A 27 -15.463 4.391 -1.243 1.00 0.00 H new ATOM 0 HA LEU A 27 -17.333 5.701 0.469 1.00 5.90 H new ATOM 0 HB2 LEU A 27 -14.454 4.732 0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -14.996 5.661 1.822 1.00 0.00 H new ATOM 0 HG LEU A 27 -15.247 3.047 1.865 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -17.322 3.266 3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -16.186 4.592 3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -17.600 4.881 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.411 2.243 0.960 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.704 3.845 0.243 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.351 2.845 -0.337 1.00 0.00 H new ATOM 402 N SER A 28 -15.097 7.606 -0.878 1.00 0.00 N ATOM 403 CA SER A 28 -14.664 9.010 -1.074 1.00 30.00 C ATOM 404 C SER A 28 -15.788 9.823 -1.716 1.00 0.00 C ATOM 405 O SER A 28 -15.676 11.020 -1.895 1.00 0.00 O ATOM 406 CB SER A 28 -13.488 8.891 -2.045 1.00 0.00 C ATOM 407 OG SER A 28 -12.320 8.514 -1.325 1.00 0.00 O ATOM 0 H SER A 28 -14.675 6.942 -1.527 1.00 0.00 H new ATOM 0 HA SER A 28 -14.402 9.509 -0.141 1.00 30.00 H new ATOM 0 HB2 SER A 28 -13.710 8.151 -2.814 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.324 9.841 -2.554 1.00 0.00 H new ATOM 0 HG SER A 28 -12.422 7.597 -0.994 1.00 0.00 H new ATOM 413 N SER A 29 -16.867 9.183 -2.080 1.00 0.00 N ATOM 414 CA SER A 29 -17.981 9.927 -2.727 1.00 16.70 C ATOM 415 C SER A 29 -19.234 9.059 -2.806 1.00 0.00 C ATOM 416 O SER A 29 -19.726 8.758 -3.875 1.00 0.00 O ATOM 417 CB SER A 29 -17.470 10.247 -4.128 1.00 0.00 C ATOM 418 OG SER A 29 -16.608 11.376 -4.069 1.00 0.00 O ATOM 0 H SER A 29 -17.023 8.182 -1.957 1.00 0.00 H new ATOM 0 HA SER A 29 -18.255 10.822 -2.169 1.00 16.70 H new ATOM 0 HB2 SER A 29 -16.937 9.389 -4.537 1.00 0.00 H new ATOM 0 HB3 SER A 29 -18.308 10.450 -4.795 1.00 0.00 H new ATOM 0 HG SER A 29 -16.487 11.647 -3.135 1.00 0.00 H new ATOM 424 N THR A 30 -19.760 8.668 -1.686 1.00 0.00 N ATOM 425 CA THR A 30 -20.993 7.832 -1.698 1.00 11.10 C ATOM 426 C THR A 30 -22.082 8.517 -0.884 1.00 0.00 C ATOM 427 O THR A 30 -23.200 8.681 -1.326 1.00 0.00 O ATOM 428 CB THR A 30 -20.589 6.501 -1.057 1.00 0.00 C ATOM 429 OG1 THR A 30 -21.755 5.744 -0.767 1.00 0.00 O ATOM 430 CG2 THR A 30 -19.797 6.733 0.235 1.00 0.00 C ATOM 0 H THR A 30 -19.393 8.889 -0.760 1.00 0.00 H new ATOM 0 HA THR A 30 -21.386 7.683 -2.704 1.00 11.10 H new ATOM 0 HB THR A 30 -19.955 5.958 -1.758 1.00 0.00 H new ATOM 0 HG1 THR A 30 -22.039 5.921 0.154 1.00 0.00 H new ATOM 0 HG21 THR A 30 -19.522 5.772 0.671 1.00 0.00 H new ATOM 0 HG22 THR A 30 -18.894 7.302 0.011 1.00 0.00 H new ATOM 0 HG23 THR A 30 -20.411 7.290 0.943 1.00 0.00 H new ATOM 438 N ASN A 31 -21.738 8.925 0.296 1.00 0.00 N ATOM 439 CA ASN A 31 -22.716 9.624 1.187 1.00 16.70 C ATOM 440 C ASN A 31 -22.098 9.851 2.571 1.00 0.00 C ATOM 441 O ASN A 31 -22.504 10.730 3.303 1.00 0.00 O ATOM 442 CB ASN A 31 -23.923 8.687 1.304 1.00 0.00 C ATOM 443 CG ASN A 31 -23.473 7.337 1.866 1.00 0.00 C ATOM 444 OD1 ASN A 31 -22.295 7.072 1.969 1.00 0.00 O ATOM 445 ND2 ASN A 31 -24.370 6.466 2.238 1.00 0.00 N ATOM 0 H ASN A 31 -20.807 8.806 0.696 1.00 0.00 H new ATOM 0 HA ASN A 31 -22.998 10.597 0.785 1.00 16.70 H new ATOM 0 HB2 ASN A 31 -24.678 9.129 1.954 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -24.385 8.549 0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -24.079 5.564 2.615 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -25.362 6.687 2.152 1.00 0.00 H new ATOM 452 N VAL A 32 -21.138 9.047 2.943 1.00 0.00 N ATOM 453 CA VAL A 32 -20.511 9.199 4.288 1.00 16.70 C ATOM 454 C VAL A 32 -21.605 9.404 5.333 1.00 0.00 C ATOM 455 O VAL A 32 -21.392 9.999 6.370 1.00 0.00 O ATOM 456 CB VAL A 32 -19.585 10.426 4.189 1.00 0.00 C ATOM 457 CG1 VAL A 32 -18.860 10.412 2.840 1.00 0.00 C ATOM 458 CG2 VAL A 32 -20.388 11.730 4.312 1.00 0.00 C ATOM 0 H VAL A 32 -20.760 8.290 2.373 1.00 0.00 H new ATOM 0 HA VAL A 32 -19.942 8.319 4.587 1.00 16.70 H new ATOM 0 HB VAL A 32 -18.864 10.378 5.005 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -18.205 11.280 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -18.266 9.502 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -19.592 10.444 2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -19.712 12.582 4.239 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -21.124 11.781 3.510 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -20.899 11.753 5.275 1.00 0.00 H new ATOM 468 N GLY A 33 -22.783 8.914 5.055 1.00 0.00 N ATOM 469 CA GLY A 33 -23.911 9.078 6.017 1.00 16.70 C ATOM 470 C GLY A 33 -24.638 10.391 5.720 1.00 0.00 C ATOM 471 O GLY A 33 -24.142 11.463 6.006 1.00 0.00 O ATOM 0 H GLY A 33 -23.013 8.406 4.201 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -24.602 8.239 5.933 1.00 16.70 H new ATOM 0 HA3 GLY A 33 -23.535 9.080 7.040 1.00 16.70 H new ATOM 475 N SER A 34 -25.807 10.323 5.140 1.00 0.00 N ATOM 476 CA SER A 34 -26.552 11.575 4.822 1.00 12.50 C ATOM 477 C SER A 34 -28.065 11.342 4.885 1.00 0.00 C ATOM 478 O SER A 34 -28.817 12.201 5.301 1.00 0.00 O ATOM 479 CB SER A 34 -26.126 11.936 3.399 1.00 0.00 C ATOM 480 OG SER A 34 -24.997 12.798 3.450 1.00 0.00 O ATOM 0 H SER A 34 -26.276 9.458 4.874 1.00 0.00 H new ATOM 0 HA SER A 34 -26.332 12.370 5.534 1.00 12.50 H new ATOM 0 HB2 SER A 34 -25.883 11.032 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 34 -26.947 12.424 2.874 1.00 0.00 H new ATOM 0 HG SER A 34 -24.483 12.616 4.265 1.00 0.00 H new ATOM 486 N ASN A 35 -28.517 10.193 4.471 1.00 0.00 N ATOM 487 CA ASN A 35 -29.983 9.917 4.503 1.00 20.00 C ATOM 488 C ASN A 35 -30.272 8.627 5.279 1.00 0.00 C ATOM 489 O ASN A 35 -29.371 7.951 5.736 1.00 0.00 O ATOM 490 CB ASN A 35 -30.385 9.760 3.035 1.00 0.00 C ATOM 491 CG ASN A 35 -31.909 9.822 2.911 1.00 0.00 C ATOM 492 OD1 ASN A 35 -32.526 8.908 2.400 1.00 0.00 O ATOM 493 ND2 ASN A 35 -32.547 10.868 3.359 1.00 0.00 N ATOM 0 H ASN A 35 -27.938 9.433 4.112 1.00 0.00 H new ATOM 0 HA ASN A 35 -30.539 10.712 5.000 1.00 20.00 H new ATOM 0 HB2 ASN A 35 -29.929 10.548 2.436 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -30.017 8.811 2.646 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -33.563 10.918 3.280 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -32.030 11.636 3.788 1.00 0.00 H new ATOM 500 N THR A 36 -31.522 8.282 5.430 1.00 0.00 N ATOM 501 CA THR A 36 -31.869 7.037 6.176 1.00 30.00 C ATOM 502 C THR A 36 -31.665 5.813 5.282 1.00 0.00 C ATOM 503 O THR A 36 -32.553 5.400 4.563 1.00 0.00 O ATOM 504 CB THR A 36 -33.347 7.193 6.546 1.00 0.00 C ATOM 505 OG1 THR A 36 -34.064 7.692 5.426 1.00 0.00 O ATOM 506 CG2 THR A 36 -33.482 8.168 7.717 1.00 0.00 C ATOM 0 H THR A 36 -32.318 8.808 5.069 1.00 0.00 H new ATOM 0 HA THR A 36 -31.243 6.895 7.057 1.00 30.00 H new ATOM 0 HB THR A 36 -33.754 6.224 6.835 1.00 0.00 H new ATOM 0 HG1 THR A 36 -33.907 7.112 4.652 1.00 0.00 H new ATOM 0 HG21 THR A 36 -34.534 8.278 7.979 1.00 0.00 H new ATOM 0 HG22 THR A 36 -32.932 7.783 8.576 1.00 0.00 H new ATOM 0 HG23 THR A 36 -33.076 9.138 7.431 1.00 0.00 H new ATOM 514 N TYR A 37 -30.499 5.230 5.321 1.00 0.00 N ATOM 515 CA TYR A 37 -30.233 4.032 4.474 1.00 30.00 C ATOM 516 C TYR A 37 -31.224 2.914 4.812 1.00 0.00 C ATOM 517 O TYR A 37 -31.604 2.815 5.967 1.00 0.00 O ATOM 518 CB TYR A 37 -28.807 3.612 4.830 1.00 0.00 C ATOM 519 CG TYR A 37 -28.793 3.000 6.209 1.00 0.00 C ATOM 520 CD1 TYR A 37 -29.200 1.673 6.390 1.00 0.00 C ATOM 521 CD2 TYR A 37 -28.380 3.761 7.309 1.00 0.00 C ATOM 522 CE1 TYR A 37 -29.191 1.106 7.669 1.00 0.00 C ATOM 523 CE2 TYR A 37 -28.371 3.193 8.589 1.00 0.00 C ATOM 524 CZ TYR A 37 -28.777 1.865 8.770 1.00 0.00 C ATOM 525 OH TYR A 37 -28.768 1.306 10.031 1.00 0.00 O ATOM 526 OXT TYR A 37 -31.583 2.174 3.911 1.00 0.00 O ATOM 0 H TYR A 37 -29.718 5.531 5.903 1.00 0.00 H new ATOM 0 HA TYR A 37 -30.345 4.242 3.410 1.00 30.00 H new ATOM 0 HB2 TYR A 37 -28.434 2.895 4.098 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -28.143 4.476 4.797 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -29.521 1.087 5.542 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -28.068 4.786 7.171 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -29.504 0.082 7.807 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -28.051 3.780 9.437 1.00 0.00 H new ATOM 0 HH TYR A 37 -28.453 1.969 10.680 1.00 0.00 H new TER 536 TYR A 37