USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=13 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 Single : A 1 LYS N :NH3+ -113:sc= 0.0679 (180deg=-0.309) USER MOD Single : A 1 LYS NZ :NH3+ -116:sc= -0.0651 (180deg=-0.526) USER MOD Single : A 3 ASN : amide:sc= -0.628 X(o=-0.63,f=-0.41) USER MOD Single : A 4 THR OG1 : rot -47:sc= -0.553! USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 81:sc= 0.821 USER MOD Single : A 10 GLN : amide:sc= -1.06 K(o=-1.1,f=-0.12) USER MOD Single : A 14 ASN : amide:sc= -0.331 X(o=-0.33,f=0) USER MOD Single : A 18 HIS : no HD1:sc= -0.266 X(o=-0.27,f=-0.013) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -67:sc= 0.803 USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0.11) USER MOD Single : A 22 ASN : amide:sc= -0.369 K(o=-0.37,f=-1.2) USER MOD Single : A 28 SER OG : rot 71:sc= 1.27 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.907 USER MOD Single : A 31 ASN : amide:sc= -6.15! K(o=-6.1!,f=-2) USER MOD Single : A 34 SER OG : rot -108:sc= 1.4 USER MOD Single : A 35 ASN : amide:sc= -2.8! C(o=-2.8!,f=-3.7!) USER MOD Single : A 36 THR OG1 : rot 47:sc= -0.419! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.051 -17.231 -1.923 1.00 0.00 N ATOM 2 CA LYS A 1 -12.560 -18.214 -0.913 1.00 0.00 C ATOM 3 C LYS A 1 -12.012 -19.461 -1.611 1.00 0.00 C ATOM 4 O LYS A 1 -11.843 -19.489 -2.814 1.00 0.00 O ATOM 5 CB LYS A 1 -13.792 -18.561 -0.072 1.00 0.00 C ATOM 6 CG LYS A 1 -14.051 -17.439 0.936 1.00 0.00 C ATOM 7 CD LYS A 1 -15.419 -17.638 1.591 1.00 0.00 C ATOM 8 CE LYS A 1 -16.111 -16.280 1.734 1.00 0.00 C ATOM 9 NZ LYS A 1 -16.517 -15.907 0.350 1.00 0.00 N ATOM 0 H1 LYS A 1 -12.446 -16.385 -1.907 1.00 0.00 H new ATOM 0 H2 LYS A 1 -13.020 -17.661 -2.869 1.00 0.00 H new ATOM 0 H3 LYS A 1 -14.029 -16.961 -1.697 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.750 -17.814 -0.303 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -14.661 -18.693 -0.717 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.636 -19.505 0.450 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -13.270 -17.434 1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.015 -16.472 0.435 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -16.030 -18.309 0.988 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -15.303 -18.105 2.569 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.975 -16.345 2.395 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.438 -15.537 2.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.008 -15.048 0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -16.285 -16.684 -0.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -17.541 -15.728 0.325 1.00 0.00 H new ATOM 25 N CYS A 2 -11.728 -20.491 -0.864 1.00 0.00 N ATOM 26 CA CYS A 2 -11.187 -21.735 -1.484 1.00 0.00 C ATOM 27 C CYS A 2 -11.470 -22.948 -0.579 1.00 0.00 C ATOM 28 O CYS A 2 -12.564 -23.476 -0.541 1.00 0.00 O ATOM 29 CB CYS A 2 -9.675 -21.499 -1.582 1.00 0.00 C ATOM 30 SG CYS A 2 -9.267 -20.496 -3.026 1.00 0.00 S ATOM 0 H CYS A 2 -11.847 -20.526 0.148 1.00 0.00 H new ATOM 0 HA CYS A 2 -11.640 -21.941 -2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -9.322 -21.002 -0.678 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.157 -22.456 -1.642 1.00 0.00 H new ATOM 35 N ASN A 3 -10.472 -23.379 0.144 1.00 0.00 N ATOM 36 CA ASN A 3 -10.592 -24.543 1.062 1.00 0.00 C ATOM 37 C ASN A 3 -9.192 -24.776 1.614 1.00 0.00 C ATOM 38 O ASN A 3 -8.751 -25.887 1.828 1.00 0.00 O ATOM 39 CB ASN A 3 -11.047 -25.719 0.195 1.00 0.00 C ATOM 40 CG ASN A 3 -11.266 -26.952 1.076 1.00 0.00 C ATOM 41 OD1 ASN A 3 -10.748 -28.014 0.793 1.00 0.00 O ATOM 42 ND2 ASN A 3 -12.016 -26.854 2.140 1.00 0.00 N ATOM 0 H ASN A 3 -9.545 -22.954 0.133 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.295 -24.404 1.883 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -11.969 -25.464 -0.327 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -10.298 -25.933 -0.568 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.167 -27.669 2.734 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -12.451 -25.962 2.377 1.00 0.00 H new ATOM 49 N THR A 4 -8.489 -23.693 1.803 1.00 0.00 N ATOM 50 CA THR A 4 -7.101 -23.729 2.295 1.00 0.00 C ATOM 51 C THR A 4 -6.698 -22.306 2.640 1.00 0.00 C ATOM 52 O THR A 4 -6.466 -21.491 1.772 1.00 0.00 O ATOM 53 CB THR A 4 -6.259 -24.265 1.129 1.00 0.00 C ATOM 54 OG1 THR A 4 -6.997 -25.248 0.417 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.973 -24.889 1.671 1.00 0.00 C ATOM 0 H THR A 4 -8.843 -22.753 1.627 1.00 0.00 H new ATOM 0 HA THR A 4 -6.970 -24.353 3.179 1.00 0.00 H new ATOM 0 HB THR A 4 -6.011 -23.443 0.458 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.404 -25.874 1.051 1.00 0.00 H new ATOM 0 HG21 THR A 4 -4.376 -25.269 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 4 -4.403 -24.135 2.213 1.00 0.00 H new ATOM 0 HG23 THR A 4 -5.222 -25.709 2.345 1.00 0.00 H new ATOM 63 N ALA A 5 -6.644 -22.009 3.901 1.00 0.00 N ATOM 64 CA ALA A 5 -6.271 -20.635 4.358 1.00 0.00 C ATOM 65 C ALA A 5 -5.223 -20.012 3.427 1.00 0.00 C ATOM 66 O ALA A 5 -5.136 -18.810 3.304 1.00 0.00 O ATOM 67 CB ALA A 5 -5.693 -20.833 5.760 1.00 0.00 C ATOM 0 H ALA A 5 -6.845 -22.667 4.654 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.126 -19.959 4.354 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.393 -19.868 6.169 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.448 -21.282 6.405 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.825 -21.490 5.706 1.00 0.00 H new ATOM 73 N THR A 6 -4.439 -20.814 2.758 1.00 0.00 N ATOM 74 CA THR A 6 -3.422 -20.253 1.829 1.00 0.00 C ATOM 75 C THR A 6 -4.115 -19.732 0.568 1.00 0.00 C ATOM 76 O THR A 6 -3.779 -18.686 0.051 1.00 0.00 O ATOM 77 CB THR A 6 -2.488 -21.423 1.502 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.290 -20.923 0.926 1.00 0.00 O ATOM 79 CG2 THR A 6 -3.174 -22.371 0.516 1.00 0.00 C ATOM 0 H THR A 6 -4.460 -21.832 2.816 1.00 0.00 H new ATOM 0 HA THR A 6 -2.871 -19.417 2.260 1.00 0.00 H new ATOM 0 HB THR A 6 -2.253 -21.966 2.418 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.691 -21.670 0.718 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.507 -23.202 0.286 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.092 -22.755 0.960 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.412 -21.832 -0.401 1.00 0.00 H new ATOM 87 N CYS A 7 -5.095 -20.446 0.078 1.00 0.00 N ATOM 88 CA CYS A 7 -5.814 -19.974 -1.137 1.00 0.00 C ATOM 89 C CYS A 7 -6.731 -18.815 -0.764 1.00 0.00 C ATOM 90 O CYS A 7 -6.595 -17.714 -1.260 1.00 0.00 O ATOM 91 CB CYS A 7 -6.632 -21.171 -1.626 1.00 0.00 C ATOM 92 SG CYS A 7 -7.284 -20.813 -3.284 1.00 0.00 S ATOM 0 H CYS A 7 -5.425 -21.330 0.465 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.132 -19.620 -1.911 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.010 -22.065 -1.652 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.451 -21.373 -0.936 1.00 0.00 H new ATOM 97 N ALA A 8 -7.653 -19.051 0.123 1.00 0.00 N ATOM 98 CA ALA A 8 -8.565 -17.956 0.542 1.00 0.00 C ATOM 99 C ALA A 8 -7.734 -16.731 0.906 1.00 0.00 C ATOM 100 O ALA A 8 -8.016 -15.637 0.471 1.00 0.00 O ATOM 101 CB ALA A 8 -9.312 -18.497 1.761 1.00 0.00 C ATOM 0 H ALA A 8 -7.814 -19.951 0.574 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.261 -17.657 -0.241 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.006 -17.741 2.127 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.866 -19.393 1.480 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.597 -18.744 2.546 1.00 0.00 H new ATOM 107 N THR A 9 -6.696 -16.904 1.676 1.00 0.00 N ATOM 108 CA THR A 9 -5.844 -15.737 2.030 1.00 0.00 C ATOM 109 C THR A 9 -5.327 -15.087 0.750 1.00 0.00 C ATOM 110 O THR A 9 -5.319 -13.881 0.613 1.00 0.00 O ATOM 111 CB THR A 9 -4.677 -16.304 2.838 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.127 -16.650 4.139 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.571 -15.252 2.940 1.00 0.00 C ATOM 0 H THR A 9 -6.403 -17.797 2.073 1.00 0.00 H new ATOM 0 HA THR A 9 -6.391 -14.983 2.596 1.00 0.00 H new ATOM 0 HB THR A 9 -4.287 -17.193 2.342 1.00 0.00 H new ATOM 0 HG1 THR A 9 -5.563 -17.527 4.112 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.738 -15.655 3.516 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.227 -14.988 1.940 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.959 -14.363 3.437 1.00 0.00 H new ATOM 121 N GLN A 10 -4.890 -15.880 -0.191 1.00 0.00 N ATOM 122 CA GLN A 10 -4.372 -15.299 -1.456 1.00 0.00 C ATOM 123 C GLN A 10 -5.497 -14.562 -2.209 1.00 0.00 C ATOM 124 O GLN A 10 -5.258 -13.624 -2.953 1.00 0.00 O ATOM 125 CB GLN A 10 -3.822 -16.507 -2.242 1.00 0.00 C ATOM 126 CG GLN A 10 -4.570 -16.704 -3.565 1.00 0.00 C ATOM 127 CD GLN A 10 -3.951 -17.879 -4.321 1.00 0.00 C ATOM 128 OE1 GLN A 10 -2.967 -17.719 -5.017 1.00 0.00 O ATOM 129 NE2 GLN A 10 -4.489 -19.061 -4.215 1.00 0.00 N ATOM 0 H GLN A 10 -4.870 -16.898 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.596 -14.550 -1.299 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.761 -16.360 -2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.910 -17.408 -1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.626 -16.894 -3.375 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.513 -15.797 -4.168 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -5.314 -19.195 -3.631 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -4.085 -19.852 -4.716 1.00 0.00 H new ATOM 138 N ARG A 11 -6.726 -14.941 -1.985 1.00 0.00 N ATOM 139 CA ARG A 11 -7.850 -14.238 -2.661 1.00 0.00 C ATOM 140 C ARG A 11 -8.238 -13.096 -1.755 1.00 0.00 C ATOM 141 O ARG A 11 -8.432 -11.969 -2.166 1.00 0.00 O ATOM 142 CB ARG A 11 -8.975 -15.272 -2.767 1.00 0.00 C ATOM 143 CG ARG A 11 -9.724 -15.083 -4.089 1.00 0.00 C ATOM 144 CD ARG A 11 -10.093 -16.451 -4.668 1.00 0.00 C ATOM 145 NE ARG A 11 -9.013 -16.763 -5.647 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.765 -18.004 -5.972 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.620 -18.941 -5.669 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.660 -18.307 -6.599 1.00 0.00 N ATOM 0 H ARG A 11 -6.998 -15.704 -1.365 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.613 -13.846 -3.650 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.563 -16.280 -2.712 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.663 -15.163 -1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.624 -14.490 -3.927 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.103 -14.533 -4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.147 -17.208 -3.886 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.069 -16.424 -5.153 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.468 -16.008 -6.063 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.483 -18.705 -5.178 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.426 -19.910 -5.923 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.990 -17.575 -6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.467 -19.276 -6.853 1.00 0.00 H new ATOM 162 N LEU A 12 -8.289 -13.397 -0.499 1.00 0.00 N ATOM 163 CA LEU A 12 -8.590 -12.369 0.511 1.00 0.00 C ATOM 164 C LEU A 12 -7.505 -11.294 0.461 1.00 0.00 C ATOM 165 O LEU A 12 -7.746 -10.133 0.725 1.00 0.00 O ATOM 166 CB LEU A 12 -8.544 -13.139 1.822 1.00 0.00 C ATOM 167 CG LEU A 12 -9.949 -13.625 2.178 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.836 -12.421 2.505 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.544 -14.380 0.986 1.00 0.00 C ATOM 0 H LEU A 12 -8.131 -14.332 -0.124 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.544 -11.863 0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.866 -13.988 1.734 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.156 -12.502 2.617 1.00 0.00 H new ATOM 0 HG LEU A 12 -9.896 -14.287 3.042 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.838 -12.766 2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -10.414 -11.877 3.350 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -10.888 -11.761 1.639 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.546 -14.727 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.597 -13.715 0.124 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -9.913 -15.236 0.746 1.00 0.00 H new ATOM 181 N ALA A 13 -6.309 -11.682 0.099 1.00 0.00 N ATOM 182 CA ALA A 13 -5.199 -10.696 0.003 1.00 0.00 C ATOM 183 C ALA A 13 -5.470 -9.743 -1.160 1.00 0.00 C ATOM 184 O ALA A 13 -5.212 -8.558 -1.089 1.00 0.00 O ATOM 185 CB ALA A 13 -3.946 -11.532 -0.267 1.00 0.00 C ATOM 0 H ALA A 13 -6.056 -12.642 -0.134 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.091 -10.092 0.904 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.081 -10.874 -0.351 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.791 -12.232 0.554 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.072 -12.086 -1.197 1.00 0.00 H new ATOM 191 N ASN A 14 -6.007 -10.263 -2.227 1.00 0.00 N ATOM 192 CA ASN A 14 -6.322 -9.410 -3.408 1.00 0.00 C ATOM 193 C ASN A 14 -7.285 -8.296 -2.992 1.00 0.00 C ATOM 194 O ASN A 14 -7.138 -7.153 -3.381 1.00 0.00 O ATOM 195 CB ASN A 14 -6.984 -10.358 -4.406 1.00 0.00 C ATOM 196 CG ASN A 14 -6.722 -9.865 -5.828 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.178 -10.582 -6.643 1.00 0.00 O ATOM 198 ND2 ASN A 14 -7.086 -8.657 -6.162 1.00 0.00 N ATOM 0 H ASN A 14 -6.243 -11.250 -2.333 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.441 -8.929 -3.833 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.591 -11.367 -4.281 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.057 -10.409 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.913 -8.315 -7.108 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.543 -8.054 -5.478 1.00 0.00 H new ATOM 205 N PHE A 15 -8.255 -8.622 -2.180 1.00 0.00 N ATOM 206 CA PHE A 15 -9.216 -7.595 -1.703 1.00 0.00 C ATOM 207 C PHE A 15 -8.553 -6.824 -0.571 1.00 0.00 C ATOM 208 O PHE A 15 -8.910 -5.706 -0.263 1.00 0.00 O ATOM 209 CB PHE A 15 -10.432 -8.371 -1.174 1.00 0.00 C ATOM 210 CG PHE A 15 -10.666 -9.607 -2.010 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.484 -9.559 -3.395 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.058 -10.802 -1.396 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.696 -10.706 -4.169 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.271 -11.949 -2.168 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.089 -11.901 -3.556 1.00 0.00 C ATOM 0 H PHE A 15 -8.421 -9.564 -1.826 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.512 -6.894 -2.483 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.269 -8.652 -0.134 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.317 -7.735 -1.197 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.180 -8.637 -3.868 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.196 -10.839 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.556 -10.669 -5.239 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.575 -12.871 -1.694 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.252 -12.786 -4.153 1.00 0.00 H new ATOM 225 N LEU A 16 -7.572 -7.421 0.050 1.00 0.00 N ATOM 226 CA LEU A 16 -6.871 -6.720 1.160 1.00 0.00 C ATOM 227 C LEU A 16 -6.247 -5.432 0.625 1.00 0.00 C ATOM 228 O LEU A 16 -6.221 -4.416 1.292 1.00 0.00 O ATOM 229 CB LEU A 16 -5.792 -7.698 1.624 1.00 0.00 C ATOM 230 CG LEU A 16 -5.699 -7.690 3.152 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.754 -6.252 3.670 1.00 0.00 C ATOM 232 CD2 LEU A 16 -6.869 -8.487 3.734 1.00 0.00 C ATOM 0 H LEU A 16 -7.228 -8.358 -0.162 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.536 -6.443 1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.024 -8.703 1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -4.830 -7.423 1.192 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.756 -8.144 3.458 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.687 -6.254 4.758 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.920 -5.684 3.257 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.694 -5.791 3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -6.806 -8.484 4.822 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.809 -8.032 3.423 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.826 -9.514 3.371 1.00 0.00 H new ATOM 244 N VAL A 17 -5.753 -5.467 -0.582 1.00 0.00 N ATOM 245 CA VAL A 17 -5.142 -4.243 -1.179 1.00 0.00 C ATOM 246 C VAL A 17 -6.206 -3.443 -1.933 1.00 0.00 C ATOM 247 O VAL A 17 -6.167 -2.230 -1.990 1.00 0.00 O ATOM 248 CB VAL A 17 -4.086 -4.764 -2.152 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.488 -3.590 -2.931 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.983 -5.475 -1.369 1.00 0.00 C ATOM 0 H VAL A 17 -5.746 -6.291 -1.183 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.714 -3.583 -0.424 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.545 -5.464 -2.850 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.734 -3.961 -3.626 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -4.276 -3.083 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.027 -2.889 -2.235 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.228 -5.848 -2.061 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.522 -4.775 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.411 -6.310 -0.814 1.00 0.00 H new ATOM 260 N HIS A 18 -7.153 -4.117 -2.519 1.00 0.00 N ATOM 261 CA HIS A 18 -8.217 -3.404 -3.278 1.00 0.00 C ATOM 262 C HIS A 18 -9.285 -2.870 -2.322 1.00 0.00 C ATOM 263 O HIS A 18 -9.840 -1.810 -2.527 1.00 0.00 O ATOM 264 CB HIS A 18 -8.814 -4.466 -4.204 1.00 0.00 C ATOM 265 CG HIS A 18 -7.881 -4.713 -5.357 1.00 0.00 C ATOM 266 ND1 HIS A 18 -8.338 -4.816 -6.677 1.00 0.00 N ATOM 267 CD2 HIS A 18 -6.517 -4.889 -5.415 1.00 0.00 C ATOM 268 CE1 HIS A 18 -7.265 -5.044 -7.463 1.00 0.00 C ATOM 269 NE2 HIS A 18 -6.162 -5.094 -6.734 1.00 0.00 N ATOM 0 H HIS A 18 -7.237 -5.133 -2.506 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.828 -2.547 -3.829 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.980 -5.392 -3.653 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.785 -4.136 -4.573 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.840 -4.870 -4.573 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -7.301 -5.168 -8.535 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -5.218 -5.255 -7.084 1.00 0.00 H new ATOM 277 N SER A 19 -9.595 -3.605 -1.289 1.00 0.00 N ATOM 278 CA SER A 19 -10.651 -3.138 -0.343 1.00 0.00 C ATOM 279 C SER A 19 -10.075 -2.289 0.801 1.00 0.00 C ATOM 280 O SER A 19 -10.672 -1.317 1.221 1.00 0.00 O ATOM 281 CB SER A 19 -11.272 -4.416 0.217 1.00 0.00 C ATOM 282 OG SER A 19 -12.399 -4.078 1.016 1.00 0.00 O ATOM 0 H SER A 19 -9.167 -4.502 -1.059 1.00 0.00 H new ATOM 0 HA SER A 19 -11.373 -2.500 -0.853 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.573 -5.075 -0.597 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.539 -4.960 0.813 1.00 0.00 H new ATOM 0 HG SER A 19 -12.802 -4.896 1.376 1.00 0.00 H new ATOM 288 N SER A 20 -8.948 -2.662 1.336 1.00 0.00 N ATOM 289 CA SER A 20 -8.378 -1.887 2.484 1.00 0.00 C ATOM 290 C SER A 20 -7.424 -0.771 2.036 1.00 0.00 C ATOM 291 O SER A 20 -7.159 0.152 2.781 1.00 0.00 O ATOM 292 CB SER A 20 -7.623 -2.923 3.313 1.00 0.00 C ATOM 293 OG SER A 20 -6.235 -2.844 3.013 1.00 0.00 O ATOM 0 H SER A 20 -8.395 -3.464 1.034 1.00 0.00 H new ATOM 0 HA SER A 20 -9.169 -1.382 3.038 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.788 -2.745 4.376 1.00 0.00 H new ATOM 0 HB3 SER A 20 -7.998 -3.923 3.095 1.00 0.00 H new ATOM 0 HG SER A 20 -6.083 -3.134 2.089 1.00 0.00 H new ATOM 299 N ASN A 21 -6.880 -0.846 0.854 1.00 0.00 N ATOM 300 CA ASN A 21 -5.923 0.219 0.423 1.00 0.00 C ATOM 301 C ASN A 21 -6.645 1.386 -0.257 1.00 0.00 C ATOM 302 O ASN A 21 -6.057 2.418 -0.513 1.00 0.00 O ATOM 303 CB ASN A 21 -4.968 -0.472 -0.552 1.00 0.00 C ATOM 304 CG ASN A 21 -3.544 0.032 -0.313 1.00 0.00 C ATOM 305 OD1 ASN A 21 -3.247 1.188 -0.547 1.00 0.00 O ATOM 306 ND2 ASN A 21 -2.643 -0.793 0.145 1.00 0.00 N ATOM 0 H ASN A 21 -7.051 -1.586 0.174 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.399 0.651 1.276 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.011 -1.553 -0.415 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.270 -0.268 -1.579 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.690 -0.468 0.307 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.892 -1.762 0.341 1.00 0.00 H new ATOM 313 N ASN A 22 -7.905 1.246 -0.545 1.00 0.00 N ATOM 314 CA ASN A 22 -8.636 2.370 -1.201 1.00 0.00 C ATOM 315 C ASN A 22 -8.541 3.633 -0.339 1.00 0.00 C ATOM 316 O ASN A 22 -7.792 4.553 -0.629 1.00 0.00 O ATOM 317 CB ASN A 22 -10.084 1.897 -1.298 1.00 0.00 C ATOM 318 CG ASN A 22 -10.990 3.087 -1.619 1.00 0.00 C ATOM 319 OD1 ASN A 22 -10.587 4.004 -2.307 1.00 0.00 O ATOM 320 ND2 ASN A 22 -12.207 3.114 -1.145 1.00 0.00 N ATOM 0 H ASN A 22 -8.460 0.411 -0.358 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.223 2.618 -2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.178 1.136 -2.073 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -10.391 1.436 -0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -12.818 3.904 -1.353 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.547 2.345 -0.567 1.00 0.00 H new ATOM 327 N PHE A 23 -9.287 3.684 0.726 1.00 0.00 N ATOM 328 CA PHE A 23 -9.232 4.885 1.605 1.00 0.00 C ATOM 329 C PHE A 23 -7.782 5.138 2.012 1.00 0.00 C ATOM 330 O PHE A 23 -7.377 6.257 2.253 1.00 0.00 O ATOM 331 CB PHE A 23 -10.107 4.547 2.817 1.00 0.00 C ATOM 332 CG PHE A 23 -9.360 3.640 3.766 1.00 0.00 C ATOM 333 CD1 PHE A 23 -9.442 2.250 3.619 1.00 0.00 C ATOM 334 CD2 PHE A 23 -8.587 4.191 4.796 1.00 0.00 C ATOM 335 CE1 PHE A 23 -8.753 1.411 4.504 1.00 0.00 C ATOM 336 CE2 PHE A 23 -7.900 3.353 5.680 1.00 0.00 C ATOM 337 CZ PHE A 23 -7.982 1.962 5.534 1.00 0.00 C ATOM 0 H PHE A 23 -9.930 2.951 1.026 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.591 5.790 1.114 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.397 5.463 3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -11.026 4.062 2.487 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.036 1.825 2.824 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.522 5.263 4.907 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.817 0.339 4.392 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -7.306 3.778 6.475 1.00 0.00 H new ATOM 0 HZ PHE A 23 -7.450 1.315 6.216 1.00 0.00 H new ATOM 347 N GLY A 24 -6.991 4.102 2.064 1.00 0.00 N ATOM 348 CA GLY A 24 -5.559 4.277 2.427 1.00 0.00 C ATOM 349 C GLY A 24 -4.844 4.967 1.264 1.00 0.00 C ATOM 350 O GLY A 24 -3.921 5.732 1.455 1.00 0.00 O ATOM 0 H GLY A 24 -7.276 3.142 1.870 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.469 4.874 3.335 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.100 3.310 2.634 1.00 0.00 H new ATOM 354 N ALA A 25 -5.276 4.707 0.056 1.00 0.00 N ATOM 355 CA ALA A 25 -4.632 5.357 -1.121 1.00 0.00 C ATOM 356 C ALA A 25 -4.894 6.860 -1.078 1.00 0.00 C ATOM 357 O ALA A 25 -4.228 7.639 -1.733 1.00 0.00 O ATOM 358 CB ALA A 25 -5.300 4.732 -2.344 1.00 0.00 C ATOM 0 H ALA A 25 -6.045 4.074 -0.164 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.552 5.212 -1.139 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.875 5.163 -3.251 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.131 3.655 -2.341 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.371 4.931 -2.315 1.00 0.00 H new ATOM 364 N ILE A 26 -5.849 7.275 -0.295 1.00 0.00 N ATOM 365 CA ILE A 26 -6.140 8.736 -0.188 1.00 0.00 C ATOM 366 C ILE A 26 -5.270 9.276 0.924 1.00 0.00 C ATOM 367 O ILE A 26 -4.535 10.231 0.767 1.00 0.00 O ATOM 368 CB ILE A 26 -7.626 8.827 0.168 1.00 0.00 C ATOM 369 CG1 ILE A 26 -8.414 7.766 -0.616 1.00 0.00 C ATOM 370 CG2 ILE A 26 -8.152 10.219 -0.188 1.00 0.00 C ATOM 371 CD1 ILE A 26 -7.808 7.594 -2.016 1.00 0.00 C ATOM 0 H ILE A 26 -6.440 6.670 0.275 1.00 0.00 H new ATOM 0 HA ILE A 26 -5.937 9.304 -1.096 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.751 8.652 1.237 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -8.393 6.816 -0.082 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -9.460 8.063 -0.697 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -9.210 10.284 0.065 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -7.598 10.972 0.373 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -8.023 10.394 -1.256 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -8.371 6.840 -2.566 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -7.853 8.543 -2.551 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -6.769 7.277 -1.926 1.00 0.00 H new ATOM 383 N LEU A 27 -5.303 8.605 2.032 1.00 0.00 N ATOM 384 CA LEU A 27 -4.440 8.981 3.165 1.00 0.00 C ATOM 385 C LEU A 27 -2.984 8.845 2.709 1.00 0.00 C ATOM 386 O LEU A 27 -2.066 9.358 3.319 1.00 0.00 O ATOM 387 CB LEU A 27 -4.786 7.937 4.215 1.00 0.00 C ATOM 388 CG LEU A 27 -5.931 8.453 5.088 1.00 0.00 C ATOM 389 CD1 LEU A 27 -5.533 9.795 5.704 1.00 0.00 C ATOM 390 CD2 LEU A 27 -7.181 8.640 4.225 1.00 0.00 C ATOM 0 H LEU A 27 -5.904 7.798 2.200 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.575 9.997 3.536 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.074 7.003 3.733 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.913 7.722 4.831 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.139 7.735 5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.347 10.165 6.327 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.640 9.664 6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.328 10.513 4.910 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.999 9.008 4.844 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.973 9.360 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.463 7.685 3.781 1.00 0.00 H new ATOM 402 N SER A 28 -2.787 8.145 1.620 1.00 0.00 N ATOM 403 CA SER A 28 -1.423 7.941 1.069 1.00 0.00 C ATOM 404 C SER A 28 -0.857 9.264 0.542 1.00 0.00 C ATOM 405 O SER A 28 0.321 9.537 0.658 1.00 0.00 O ATOM 406 CB SER A 28 -1.637 6.952 -0.078 1.00 0.00 C ATOM 407 OG SER A 28 -1.517 5.626 0.418 1.00 0.00 O ATOM 0 H SER A 28 -3.532 7.700 1.084 1.00 0.00 H new ATOM 0 HA SER A 28 -0.714 7.577 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.622 7.099 -0.522 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.904 7.126 -0.865 1.00 0.00 H new ATOM 0 HG SER A 28 -2.289 5.418 0.985 1.00 0.00 H new ATOM 413 N SER A 29 -1.689 10.084 -0.040 1.00 0.00 N ATOM 414 CA SER A 29 -1.203 11.386 -0.581 1.00 0.00 C ATOM 415 C SER A 29 -1.215 12.453 0.506 1.00 0.00 C ATOM 416 O SER A 29 -0.197 13.037 0.799 1.00 0.00 O ATOM 417 CB SER A 29 -2.186 11.740 -1.696 1.00 0.00 C ATOM 418 OG SER A 29 -1.531 11.627 -2.953 1.00 0.00 O ATOM 0 H SER A 29 -2.686 9.908 -0.165 1.00 0.00 H new ATOM 0 HA SER A 29 -0.177 11.324 -0.945 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.048 11.074 -1.661 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.561 12.754 -1.558 1.00 0.00 H new ATOM 0 HG SER A 29 -2.159 11.852 -3.671 1.00 0.00 H new ATOM 424 N THR A 30 -2.361 12.708 1.094 1.00 0.00 N ATOM 425 CA THR A 30 -2.474 13.745 2.177 1.00 0.00 C ATOM 426 C THR A 30 -2.591 15.152 1.576 1.00 0.00 C ATOM 427 O THR A 30 -3.284 16.003 2.098 1.00 0.00 O ATOM 428 CB THR A 30 -1.208 13.590 3.040 1.00 0.00 C ATOM 429 OG1 THR A 30 -1.563 13.679 4.411 1.00 0.00 O ATOM 430 CG2 THR A 30 -0.175 14.679 2.712 1.00 0.00 C ATOM 0 H THR A 30 -3.236 12.236 0.868 1.00 0.00 H new ATOM 0 HA THR A 30 -3.371 13.607 2.780 1.00 0.00 H new ATOM 0 HB THR A 30 -0.763 12.619 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 30 -0.760 13.579 4.964 1.00 0.00 H new ATOM 0 HG21 THR A 30 0.708 14.543 3.337 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.109 14.607 1.662 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.608 15.661 2.904 1.00 0.00 H new ATOM 438 N ASN A 31 -1.928 15.400 0.483 1.00 0.00 N ATOM 439 CA ASN A 31 -2.009 16.745 -0.148 1.00 0.00 C ATOM 440 C ASN A 31 -3.429 16.986 -0.668 1.00 0.00 C ATOM 441 O ASN A 31 -3.764 18.065 -1.116 1.00 0.00 O ATOM 442 CB ASN A 31 -0.996 16.709 -1.300 1.00 0.00 C ATOM 443 CG ASN A 31 -1.614 16.034 -2.530 1.00 0.00 C ATOM 444 OD1 ASN A 31 -1.380 16.451 -3.647 1.00 0.00 O ATOM 445 ND2 ASN A 31 -2.400 15.004 -2.371 1.00 0.00 N ATOM 0 H ASN A 31 -1.333 14.728 -0.002 1.00 0.00 H new ATOM 0 HA ASN A 31 -1.786 17.552 0.550 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.684 17.723 -1.551 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -0.102 16.168 -0.990 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.817 14.550 -3.184 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.597 14.653 -1.434 1.00 0.00 H new ATOM 452 N VAL A 32 -4.260 15.982 -0.617 1.00 0.00 N ATOM 453 CA VAL A 32 -5.654 16.145 -1.114 1.00 0.00 C ATOM 454 C VAL A 32 -6.658 15.774 -0.016 1.00 0.00 C ATOM 455 O VAL A 32 -7.827 16.092 -0.100 1.00 0.00 O ATOM 456 CB VAL A 32 -5.744 15.179 -2.298 1.00 0.00 C ATOM 457 CG1 VAL A 32 -7.206 14.792 -2.552 1.00 0.00 C ATOM 458 CG2 VAL A 32 -5.176 15.861 -3.545 1.00 0.00 C ATOM 0 H VAL A 32 -4.034 15.056 -0.253 1.00 0.00 H new ATOM 0 HA VAL A 32 -5.886 17.170 -1.402 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.172 14.279 -2.072 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.259 14.105 -3.396 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.614 14.309 -1.664 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.786 15.687 -2.776 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -5.237 15.178 -4.393 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.752 16.761 -3.762 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -4.134 16.130 -3.370 1.00 0.00 H new ATOM 468 N GLY A 33 -6.210 15.107 1.013 1.00 0.00 N ATOM 469 CA GLY A 33 -7.142 14.723 2.111 1.00 0.00 C ATOM 470 C GLY A 33 -6.368 14.626 3.426 1.00 0.00 C ATOM 471 O GLY A 33 -6.328 13.589 4.059 1.00 0.00 O ATOM 0 H GLY A 33 -5.242 14.812 1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.940 15.460 2.200 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.615 13.768 1.884 1.00 0.00 H new ATOM 475 N SER A 34 -5.754 15.697 3.843 1.00 0.00 N ATOM 476 CA SER A 34 -4.984 15.668 5.118 1.00 0.00 C ATOM 477 C SER A 34 -5.544 16.709 6.089 1.00 0.00 C ATOM 478 O SER A 34 -6.393 16.415 6.907 1.00 0.00 O ATOM 479 CB SER A 34 -3.548 16.010 4.723 1.00 0.00 C ATOM 480 OG SER A 34 -3.528 17.269 4.064 1.00 0.00 O ATOM 0 H SER A 34 -5.752 16.593 3.356 1.00 0.00 H new ATOM 0 HA SER A 34 -5.043 14.702 5.619 1.00 0.00 H new ATOM 0 HB2 SER A 34 -2.913 16.040 5.608 1.00 0.00 H new ATOM 0 HB3 SER A 34 -3.145 15.238 4.068 1.00 0.00 H new ATOM 0 HG SER A 34 -3.361 17.135 3.108 1.00 0.00 H new ATOM 486 N ASN A 35 -5.081 17.924 6.001 1.00 0.00 N ATOM 487 CA ASN A 35 -5.594 18.983 6.918 1.00 0.00 C ATOM 488 C ASN A 35 -5.547 20.348 6.226 1.00 0.00 C ATOM 489 O ASN A 35 -4.536 20.744 5.682 1.00 0.00 O ATOM 490 CB ASN A 35 -4.655 18.963 8.125 1.00 0.00 C ATOM 491 CG ASN A 35 -4.363 17.514 8.527 1.00 0.00 C ATOM 492 OD1 ASN A 35 -5.221 16.833 9.050 1.00 0.00 O ATOM 493 ND2 ASN A 35 -3.178 17.014 8.305 1.00 0.00 N ATOM 0 H ASN A 35 -4.371 18.231 5.336 1.00 0.00 H new ATOM 0 HA ASN A 35 -6.630 18.806 7.209 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -3.725 19.478 7.883 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.108 19.498 8.960 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.973 16.051 8.571 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.457 17.586 7.865 1.00 0.00 H new ATOM 500 N THR A 36 -6.634 21.069 6.248 1.00 0.00 N ATOM 501 CA THR A 36 -6.653 22.410 5.595 1.00 0.00 C ATOM 502 C THR A 36 -5.951 22.348 4.236 1.00 0.00 C ATOM 503 O THR A 36 -4.825 22.776 4.086 1.00 0.00 O ATOM 504 CB THR A 36 -5.893 23.322 6.560 1.00 0.00 C ATOM 505 OG1 THR A 36 -4.720 22.659 7.009 1.00 0.00 O ATOM 506 CG2 THR A 36 -6.788 23.650 7.757 1.00 0.00 C ATOM 0 H THR A 36 -7.510 20.789 6.689 1.00 0.00 H new ATOM 0 HA THR A 36 -7.665 22.769 5.406 1.00 0.00 H new ATOM 0 HB THR A 36 -5.615 24.245 6.051 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.253 22.265 6.243 1.00 0.00 H new ATOM 0 HG21 THR A 36 -6.249 24.300 8.447 1.00 0.00 H new ATOM 0 HG22 THR A 36 -7.689 24.156 7.410 1.00 0.00 H new ATOM 0 HG23 THR A 36 -7.064 22.728 8.268 1.00 0.00 H new ATOM 514 N TYR A 37 -6.613 21.817 3.242 1.00 0.00 N ATOM 515 CA TYR A 37 -5.991 21.725 1.891 1.00 0.00 C ATOM 516 C TYR A 37 -5.785 23.124 1.305 1.00 0.00 C ATOM 517 O TYR A 37 -6.096 24.084 1.990 1.00 0.00 O ATOM 518 CB TYR A 37 -6.992 20.934 1.049 1.00 0.00 C ATOM 519 CG TYR A 37 -8.331 21.636 1.060 1.00 0.00 C ATOM 520 CD1 TYR A 37 -8.494 22.844 0.372 1.00 0.00 C ATOM 521 CD2 TYR A 37 -9.409 21.078 1.758 1.00 0.00 C ATOM 522 CE1 TYR A 37 -9.736 23.494 0.380 1.00 0.00 C ATOM 523 CE2 TYR A 37 -10.651 21.727 1.766 1.00 0.00 C ATOM 524 CZ TYR A 37 -10.813 22.935 1.077 1.00 0.00 C ATOM 525 OH TYR A 37 -12.037 23.573 1.086 1.00 0.00 O ATOM 526 OXT TYR A 37 -5.321 23.211 0.179 1.00 0.00 O ATOM 0 H TYR A 37 -7.559 21.443 3.309 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.012 21.247 1.919 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.628 20.840 0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.097 19.924 1.444 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -7.662 23.276 -0.165 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.283 20.147 2.291 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -9.862 24.426 -0.152 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -11.483 21.296 2.303 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.675 23.050 1.615 1.00 0.00 H new TER 536 TYR A 37