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 160:sc= -0.421! USER MOD Set 1.2: A 31 ASN : amide:sc= -3.2! K(o=-3.6!,f=-2.4) USER MOD Single : A 1 LYS N :NH3+ 147:sc= -0.652 (180deg=-2.75!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 4 THR OG1 : rot 180:sc=0.000445 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 116:sc= 0.81 USER MOD Single : A 10 GLN : amide:sc= -1.41! K(o=-1.4!,f=-0.5) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 18 HIS : no HD1:sc= -1.99 X(o=-2,f=-1.5) USER MOD Single : A 19 SER OG : rot -100:sc= 0.854 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0308 K(o=-0.031,f=-1.6!) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.098) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.14 K(o=-1.1,f=-5.4!) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -13.013 -15.008 -1.310 1.00 0.00 N ATOM 2 CA LYS A 1 -12.303 -16.075 -0.548 1.00 0.00 C ATOM 3 C LYS A 1 -12.185 -17.340 -1.398 1.00 0.00 C ATOM 4 O LYS A 1 -12.452 -17.329 -2.584 1.00 0.00 O ATOM 5 CB LYS A 1 -13.169 -16.332 0.688 1.00 0.00 C ATOM 6 CG LYS A 1 -14.636 -16.469 0.276 1.00 0.00 C ATOM 7 CD LYS A 1 -15.443 -15.313 0.873 1.00 0.00 C ATOM 8 CE LYS A 1 -16.116 -15.772 2.169 1.00 0.00 C ATOM 9 NZ LYS A 1 -15.686 -14.783 3.197 1.00 0.00 N ATOM 0 H1 LYS A 1 -13.569 -14.424 -0.653 1.00 0.00 H new ATOM 0 H2 LYS A 1 -12.317 -14.411 -1.801 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.648 -15.444 -2.008 1.00 0.00 H new ATOM 0 HA LYS A 1 -11.289 -15.781 -0.275 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.838 -17.239 1.193 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.057 -15.513 1.398 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -14.722 -16.464 -0.811 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -15.035 -17.422 0.623 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.789 -14.464 1.072 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -16.196 -14.975 0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -17.201 -15.788 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.806 -16.782 2.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -16.108 -15.031 4.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.649 -14.795 3.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -16.001 -13.832 2.917 1.00 0.00 H new ATOM 25 N CYS A 2 -11.782 -18.428 -0.807 1.00 0.00 N ATOM 26 CA CYS A 2 -11.641 -19.689 -1.590 1.00 0.00 C ATOM 27 C CYS A 2 -12.141 -20.886 -0.774 1.00 0.00 C ATOM 28 O CYS A 2 -13.202 -21.421 -1.026 1.00 0.00 O ATOM 29 CB CYS A 2 -10.138 -19.815 -1.861 1.00 0.00 C ATOM 30 SG CYS A 2 -9.860 -20.187 -3.610 1.00 0.00 S ATOM 0 H CYS A 2 -11.544 -18.501 0.182 1.00 0.00 H new ATOM 0 HA CYS A 2 -12.226 -19.671 -2.510 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -9.632 -18.888 -1.592 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -9.712 -20.603 -1.240 1.00 0.00 H new ATOM 35 N ASN A 3 -11.370 -21.307 0.193 1.00 0.00 N ATOM 36 CA ASN A 3 -11.747 -22.473 1.045 1.00 0.00 C ATOM 37 C ASN A 3 -10.467 -22.968 1.702 1.00 0.00 C ATOM 38 O ASN A 3 -10.450 -23.417 2.831 1.00 0.00 O ATOM 39 CB ASN A 3 -12.313 -23.534 0.093 1.00 0.00 C ATOM 40 CG ASN A 3 -12.246 -24.912 0.757 1.00 0.00 C ATOM 41 OD1 ASN A 3 -12.646 -25.072 1.893 1.00 0.00 O ATOM 42 ND2 ASN A 3 -11.757 -25.921 0.089 1.00 0.00 N ATOM 0 H ASN A 3 -10.475 -20.882 0.433 1.00 0.00 H new ATOM 0 HA ASN A 3 -12.481 -22.234 1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.345 -23.293 -0.163 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -11.746 -23.540 -0.838 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -11.711 -26.844 0.521 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.421 -25.787 -0.865 1.00 0.00 H new ATOM 49 N THR A 4 -9.387 -22.848 0.985 1.00 0.00 N ATOM 50 CA THR A 4 -8.066 -23.258 1.518 1.00 0.00 C ATOM 51 C THR A 4 -7.318 -22.020 1.992 1.00 0.00 C ATOM 52 O THR A 4 -7.041 -21.119 1.226 1.00 0.00 O ATOM 53 CB THR A 4 -7.343 -23.914 0.339 1.00 0.00 C ATOM 54 OG1 THR A 4 -8.301 -24.388 -0.598 1.00 0.00 O ATOM 55 CG2 THR A 4 -6.496 -25.084 0.844 1.00 0.00 C ATOM 0 H THR A 4 -9.367 -22.476 0.035 1.00 0.00 H new ATOM 0 HA THR A 4 -8.141 -23.941 2.364 1.00 0.00 H new ATOM 0 HB THR A 4 -6.695 -23.182 -0.143 1.00 0.00 H new ATOM 0 HG1 THR A 4 -7.839 -24.807 -1.354 1.00 0.00 H new ATOM 0 HG21 THR A 4 -5.982 -25.550 0.004 1.00 0.00 H new ATOM 0 HG22 THR A 4 -5.761 -24.718 1.561 1.00 0.00 H new ATOM 0 HG23 THR A 4 -7.141 -25.818 1.327 1.00 0.00 H new ATOM 63 N ALA A 5 -6.994 -21.974 3.251 1.00 0.00 N ATOM 64 CA ALA A 5 -6.256 -20.799 3.797 1.00 0.00 C ATOM 65 C ALA A 5 -5.182 -20.343 2.806 1.00 0.00 C ATOM 66 O ALA A 5 -4.762 -19.206 2.819 1.00 0.00 O ATOM 67 CB ALA A 5 -5.614 -21.300 5.091 1.00 0.00 C ATOM 0 H ALA A 5 -7.209 -22.703 3.932 1.00 0.00 H new ATOM 0 HA ALA A 5 -6.910 -19.945 3.972 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.051 -20.490 5.555 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.392 -21.639 5.775 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.941 -22.128 4.867 1.00 0.00 H new ATOM 73 N THR A 6 -4.742 -21.215 1.941 1.00 0.00 N ATOM 74 CA THR A 6 -3.707 -20.815 0.947 1.00 0.00 C ATOM 75 C THR A 6 -4.363 -20.009 -0.179 1.00 0.00 C ATOM 76 O THR A 6 -3.838 -19.010 -0.630 1.00 0.00 O ATOM 77 CB THR A 6 -3.120 -22.129 0.419 1.00 0.00 C ATOM 78 OG1 THR A 6 -2.099 -21.841 -0.528 1.00 0.00 O ATOM 79 CG2 THR A 6 -4.215 -22.965 -0.248 1.00 0.00 C ATOM 0 H THR A 6 -5.053 -22.184 1.880 1.00 0.00 H new ATOM 0 HA THR A 6 -2.930 -20.185 1.380 1.00 0.00 H new ATOM 0 HB THR A 6 -2.702 -22.694 1.252 1.00 0.00 H new ATOM 0 HG1 THR A 6 -1.721 -22.679 -0.866 1.00 0.00 H new ATOM 0 HG21 THR A 6 -3.787 -23.896 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.995 -23.189 0.479 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.644 -22.406 -1.080 1.00 0.00 H new ATOM 87 N CYS A 7 -5.520 -20.424 -0.620 1.00 0.00 N ATOM 88 CA CYS A 7 -6.222 -19.671 -1.698 1.00 0.00 C ATOM 89 C CYS A 7 -7.049 -18.555 -1.071 1.00 0.00 C ATOM 90 O CYS A 7 -6.984 -17.413 -1.476 1.00 0.00 O ATOM 91 CB CYS A 7 -7.127 -20.692 -2.383 1.00 0.00 C ATOM 92 SG CYS A 7 -7.867 -19.951 -3.862 1.00 0.00 S ATOM 0 H CYS A 7 -6.009 -21.252 -0.280 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.534 -19.213 -2.409 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -6.553 -21.577 -2.656 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.909 -21.018 -1.697 1.00 0.00 H new ATOM 97 N ALA A 8 -7.814 -18.878 -0.068 1.00 0.00 N ATOM 98 CA ALA A 8 -8.631 -17.833 0.604 1.00 0.00 C ATOM 99 C ALA A 8 -7.716 -16.691 1.035 1.00 0.00 C ATOM 100 O ALA A 8 -7.939 -15.549 0.697 1.00 0.00 O ATOM 101 CB ALA A 8 -9.251 -18.522 1.820 1.00 0.00 C ATOM 0 H ALA A 8 -7.909 -19.819 0.315 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.401 -17.414 -0.044 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.869 -17.809 2.366 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.867 -19.358 1.490 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.459 -18.890 2.473 1.00 0.00 H new ATOM 107 N THR A 9 -6.671 -16.990 1.760 1.00 0.00 N ATOM 108 CA THR A 9 -5.739 -15.907 2.176 1.00 0.00 C ATOM 109 C THR A 9 -5.279 -15.152 0.932 1.00 0.00 C ATOM 110 O THR A 9 -5.213 -13.939 0.916 1.00 0.00 O ATOM 111 CB THR A 9 -4.554 -16.611 2.844 1.00 0.00 C ATOM 112 OG1 THR A 9 -4.989 -17.244 4.040 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.471 -15.585 3.177 1.00 0.00 C ATOM 0 H THR A 9 -6.426 -17.927 2.078 1.00 0.00 H new ATOM 0 HA THR A 9 -6.202 -15.192 2.856 1.00 0.00 H new ATOM 0 HB THR A 9 -4.149 -17.360 2.163 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.891 -18.215 3.951 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.628 -16.087 3.652 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.135 -15.100 2.260 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.877 -14.835 3.856 1.00 0.00 H new ATOM 121 N GLN A 10 -4.963 -15.864 -0.119 1.00 0.00 N ATOM 122 CA GLN A 10 -4.511 -15.189 -1.362 1.00 0.00 C ATOM 123 C GLN A 10 -5.696 -14.528 -2.081 1.00 0.00 C ATOM 124 O GLN A 10 -5.530 -13.632 -2.888 1.00 0.00 O ATOM 125 CB GLN A 10 -3.923 -16.304 -2.227 1.00 0.00 C ATOM 126 CG GLN A 10 -2.484 -16.589 -1.791 1.00 0.00 C ATOM 127 CD GLN A 10 -1.968 -17.848 -2.496 1.00 0.00 C ATOM 128 OE1 GLN A 10 -0.932 -18.373 -2.137 1.00 0.00 O ATOM 129 NE2 GLN A 10 -2.646 -18.360 -3.489 1.00 0.00 N ATOM 0 H GLN A 10 -5.000 -16.882 -0.166 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.787 -14.400 -1.156 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.527 -17.207 -2.134 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -3.944 -16.013 -3.277 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -1.846 -15.739 -2.032 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -2.442 -16.723 -0.710 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.516 -17.922 -3.792 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.306 -19.198 -3.961 1.00 0.00 H new ATOM 138 N ARG A 11 -6.893 -14.938 -1.768 1.00 0.00 N ATOM 139 CA ARG A 11 -8.081 -14.323 -2.420 1.00 0.00 C ATOM 140 C ARG A 11 -8.499 -13.152 -1.561 1.00 0.00 C ATOM 141 O ARG A 11 -8.874 -12.093 -2.029 1.00 0.00 O ATOM 142 CB ARG A 11 -9.145 -15.425 -2.415 1.00 0.00 C ATOM 143 CG ARG A 11 -8.920 -16.364 -3.605 1.00 0.00 C ATOM 144 CD ARG A 11 -9.199 -15.618 -4.911 1.00 0.00 C ATOM 145 NE ARG A 11 -8.114 -16.043 -5.839 1.00 0.00 N ATOM 146 CZ ARG A 11 -8.157 -17.220 -6.404 1.00 0.00 C ATOM 147 NH1 ARG A 11 -9.135 -18.043 -6.137 1.00 0.00 N ATOM 148 NH2 ARG A 11 -7.220 -17.575 -7.241 1.00 0.00 N ATOM 0 H ARG A 11 -7.100 -15.671 -1.090 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.907 -13.964 -3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -9.097 -15.986 -1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.140 -14.984 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.895 -16.735 -3.599 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.574 -17.232 -3.524 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -10.181 -15.873 -5.309 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.188 -14.539 -4.759 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.336 -15.413 -6.034 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.869 -17.768 -5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.164 -18.961 -6.581 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -6.456 -16.934 -7.453 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -7.252 -18.494 -7.683 1.00 0.00 H new ATOM 162 N LEU A 12 -8.385 -13.351 -0.292 1.00 0.00 N ATOM 163 CA LEU A 12 -8.708 -12.296 0.682 1.00 0.00 C ATOM 164 C LEU A 12 -7.677 -11.173 0.570 1.00 0.00 C ATOM 165 O LEU A 12 -7.978 -10.014 0.775 1.00 0.00 O ATOM 166 CB LEU A 12 -8.602 -13.024 2.012 1.00 0.00 C ATOM 167 CG LEU A 12 -9.973 -13.571 2.410 1.00 0.00 C ATOM 168 CD1 LEU A 12 -9.802 -14.906 3.135 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.671 -12.571 3.337 1.00 0.00 C ATOM 0 H LEU A 12 -8.072 -14.229 0.123 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.683 -11.829 0.540 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.883 -13.839 1.935 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.233 -12.345 2.781 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.577 -13.721 1.515 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -10.780 -15.294 3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.306 -15.618 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.197 -14.759 4.030 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.649 -12.960 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.066 -12.420 4.231 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.795 -11.620 2.819 1.00 0.00 H new ATOM 181 N ALA A 13 -6.466 -11.513 0.224 1.00 0.00 N ATOM 182 CA ALA A 13 -5.415 -10.471 0.069 1.00 0.00 C ATOM 183 C ALA A 13 -5.703 -9.663 -1.195 1.00 0.00 C ATOM 184 O ALA A 13 -5.435 -8.480 -1.273 1.00 0.00 O ATOM 185 CB ALA A 13 -4.103 -11.242 -0.075 1.00 0.00 C ATOM 0 H ALA A 13 -6.160 -12.469 0.042 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.378 -9.777 0.909 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.279 -10.539 -0.194 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.937 -11.848 0.816 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.156 -11.890 -0.950 1.00 0.00 H new ATOM 191 N ASN A 14 -6.265 -10.307 -2.182 1.00 0.00 N ATOM 192 CA ASN A 14 -6.600 -9.605 -3.451 1.00 0.00 C ATOM 193 C ASN A 14 -7.557 -8.451 -3.162 1.00 0.00 C ATOM 194 O ASN A 14 -7.397 -7.356 -3.661 1.00 0.00 O ATOM 195 CB ASN A 14 -7.282 -10.665 -4.315 1.00 0.00 C ATOM 196 CG ASN A 14 -7.119 -10.308 -5.792 1.00 0.00 C ATOM 197 OD1 ASN A 14 -6.015 -10.152 -6.274 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.182 -10.171 -6.538 1.00 0.00 N ATOM 0 H ASN A 14 -6.508 -11.297 -2.162 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.724 -9.182 -3.943 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.846 -11.644 -4.117 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.340 -10.729 -4.061 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.085 -9.933 -7.525 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -9.109 -10.302 -6.134 1.00 0.00 H new ATOM 205 N PHE A 15 -8.548 -8.686 -2.344 1.00 0.00 N ATOM 206 CA PHE A 15 -9.503 -7.593 -2.010 1.00 0.00 C ATOM 207 C PHE A 15 -8.867 -6.698 -0.954 1.00 0.00 C ATOM 208 O PHE A 15 -9.286 -5.580 -0.732 1.00 0.00 O ATOM 209 CB PHE A 15 -10.764 -8.264 -1.446 1.00 0.00 C ATOM 210 CG PHE A 15 -10.964 -9.627 -2.066 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.689 -9.831 -3.424 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.421 -10.687 -1.278 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.873 -11.095 -3.993 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.604 -11.951 -1.845 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.330 -12.157 -3.203 1.00 0.00 C ATOM 0 H PHE A 15 -8.736 -9.583 -1.895 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.750 -6.986 -2.881 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.678 -8.360 -0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.634 -7.638 -1.642 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.335 -9.012 -4.032 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.633 -10.529 -0.231 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.663 -11.252 -5.041 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.957 -12.770 -1.236 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.471 -13.134 -3.641 1.00 0.00 H new ATOM 225 N LEU A 16 -7.844 -7.186 -0.303 1.00 0.00 N ATOM 226 CA LEU A 16 -7.170 -6.360 0.736 1.00 0.00 C ATOM 227 C LEU A 16 -6.454 -5.185 0.070 1.00 0.00 C ATOM 228 O LEU A 16 -6.678 -4.037 0.404 1.00 0.00 O ATOM 229 CB LEU A 16 -6.166 -7.302 1.402 1.00 0.00 C ATOM 230 CG LEU A 16 -6.260 -7.164 2.922 1.00 0.00 C ATOM 231 CD1 LEU A 16 -5.858 -5.747 3.331 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.698 -7.436 3.370 1.00 0.00 C ATOM 0 H LEU A 16 -7.449 -8.116 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.868 -5.942 1.461 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.368 -8.332 1.107 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.155 -7.067 1.068 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.590 -7.882 3.395 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.925 -5.648 4.414 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.834 -5.553 3.011 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.528 -5.028 2.859 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.766 -7.338 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -8.368 -6.718 2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.985 -8.446 3.078 1.00 0.00 H new ATOM 244 N VAL A 17 -5.599 -5.462 -0.877 1.00 0.00 N ATOM 245 CA VAL A 17 -4.872 -4.360 -1.573 1.00 0.00 C ATOM 246 C VAL A 17 -5.786 -3.699 -2.611 1.00 0.00 C ATOM 247 O VAL A 17 -5.554 -2.583 -3.033 1.00 0.00 O ATOM 248 CB VAL A 17 -3.681 -5.040 -2.252 1.00 0.00 C ATOM 249 CG1 VAL A 17 -3.130 -4.136 -3.358 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.585 -5.296 -1.216 1.00 0.00 C ATOM 0 H VAL A 17 -5.372 -6.403 -1.199 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.553 -3.574 -0.889 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.006 -5.985 -2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.282 -4.624 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.909 -3.950 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.806 -3.189 -2.926 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.735 -5.780 -1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.265 -4.348 -0.783 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.973 -5.942 -0.428 1.00 0.00 H new ATOM 260 N HIS A 18 -6.823 -4.376 -3.022 1.00 0.00 N ATOM 261 CA HIS A 18 -7.751 -3.783 -4.028 1.00 0.00 C ATOM 262 C HIS A 18 -8.845 -2.982 -3.323 1.00 0.00 C ATOM 263 O HIS A 18 -9.033 -1.809 -3.577 1.00 0.00 O ATOM 264 CB HIS A 18 -8.362 -4.977 -4.758 1.00 0.00 C ATOM 265 CG HIS A 18 -7.346 -5.568 -5.693 1.00 0.00 C ATOM 266 ND1 HIS A 18 -7.712 -6.234 -6.868 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.970 -5.608 -5.649 1.00 0.00 C ATOM 268 CE1 HIS A 18 -6.578 -6.643 -7.476 1.00 0.00 C ATOM 269 NE2 HIS A 18 -5.520 -6.280 -6.767 1.00 0.00 N ATOM 0 H HIS A 18 -7.068 -5.314 -2.705 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.239 -3.104 -4.710 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -8.689 -5.728 -4.039 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -9.245 -4.663 -5.315 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -5.349 -5.186 -4.872 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -6.539 -7.188 -8.407 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.545 -6.464 -7.005 1.00 0.00 H new ATOM 277 N SER A 19 -9.574 -3.613 -2.445 1.00 0.00 N ATOM 278 CA SER A 19 -10.664 -2.893 -1.727 1.00 0.00 C ATOM 279 C SER A 19 -10.090 -1.745 -0.887 1.00 0.00 C ATOM 280 O SER A 19 -10.789 -0.816 -0.535 1.00 0.00 O ATOM 281 CB SER A 19 -11.302 -3.953 -0.830 1.00 0.00 C ATOM 282 OG SER A 19 -10.598 -4.012 0.403 1.00 0.00 O ATOM 0 H SER A 19 -9.463 -4.595 -2.193 1.00 0.00 H new ATOM 0 HA SER A 19 -11.385 -2.444 -2.411 1.00 0.00 H new ATOM 0 HB2 SER A 19 -12.350 -3.712 -0.652 1.00 0.00 H new ATOM 0 HB3 SER A 19 -11.278 -4.925 -1.323 1.00 0.00 H new ATOM 0 HG SER A 19 -9.979 -4.772 0.390 1.00 0.00 H new ATOM 288 N SER A 20 -8.825 -1.798 -0.563 1.00 0.00 N ATOM 289 CA SER A 20 -8.218 -0.709 0.252 1.00 0.00 C ATOM 290 C SER A 20 -7.647 0.380 -0.656 1.00 0.00 C ATOM 291 O SER A 20 -7.720 1.550 -0.354 1.00 0.00 O ATOM 292 CB SER A 20 -7.104 -1.384 1.050 1.00 0.00 C ATOM 293 OG SER A 20 -6.563 -0.456 1.981 1.00 0.00 O ATOM 0 H SER A 20 -8.187 -2.549 -0.828 1.00 0.00 H new ATOM 0 HA SER A 20 -8.948 -0.226 0.901 1.00 0.00 H new ATOM 0 HB2 SER A 20 -7.494 -2.257 1.574 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.323 -1.739 0.377 1.00 0.00 H new ATOM 0 HG SER A 20 -5.849 -0.887 2.495 1.00 0.00 H new ATOM 299 N ASN A 21 -7.075 0.000 -1.765 1.00 0.00 N ATOM 300 CA ASN A 21 -6.492 1.013 -2.693 1.00 0.00 C ATOM 301 C ASN A 21 -7.566 1.554 -3.641 1.00 0.00 C ATOM 302 O ASN A 21 -7.321 2.454 -4.420 1.00 0.00 O ATOM 303 CB ASN A 21 -5.416 0.259 -3.475 1.00 0.00 C ATOM 304 CG ASN A 21 -4.351 1.244 -3.962 1.00 0.00 C ATOM 305 OD1 ASN A 21 -4.542 2.442 -3.905 1.00 0.00 O ATOM 306 ND2 ASN A 21 -3.226 0.784 -4.439 1.00 0.00 N ATOM 0 H ASN A 21 -6.985 -0.969 -2.070 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.085 1.872 -2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -4.960 -0.503 -2.843 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.864 -0.257 -4.324 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.507 1.431 -4.764 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.066 -0.222 -4.487 1.00 0.00 H new ATOM 313 N ASN A 22 -8.753 1.017 -3.580 1.00 0.00 N ATOM 314 CA ASN A 22 -9.836 1.510 -4.480 1.00 0.00 C ATOM 315 C ASN A 22 -9.838 3.038 -4.498 1.00 0.00 C ATOM 316 O ASN A 22 -9.786 3.665 -5.543 1.00 0.00 O ATOM 317 CB ASN A 22 -11.131 0.972 -3.869 1.00 0.00 C ATOM 318 CG ASN A 22 -12.325 1.745 -4.432 1.00 0.00 C ATOM 319 OD1 ASN A 22 -12.791 2.691 -3.829 1.00 0.00 O ATOM 320 ND2 ASN A 22 -12.842 1.380 -5.573 1.00 0.00 N ATOM 0 H ASN A 22 -9.020 0.261 -2.949 1.00 0.00 H new ATOM 0 HA ASN A 22 -9.709 1.179 -5.511 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -11.236 -0.090 -4.091 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -11.101 1.070 -2.784 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.637 1.889 -5.959 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -12.451 0.586 -6.079 1.00 0.00 H new ATOM 327 N PHE A 23 -9.884 3.641 -3.346 1.00 0.00 N ATOM 328 CA PHE A 23 -9.876 5.126 -3.286 1.00 0.00 C ATOM 329 C PHE A 23 -8.735 5.650 -4.151 1.00 0.00 C ATOM 330 O PHE A 23 -8.803 6.725 -4.710 1.00 0.00 O ATOM 331 CB PHE A 23 -9.647 5.466 -1.808 1.00 0.00 C ATOM 332 CG PHE A 23 -8.211 5.178 -1.422 1.00 0.00 C ATOM 333 CD1 PHE A 23 -7.176 5.996 -1.893 1.00 0.00 C ATOM 334 CD2 PHE A 23 -7.918 4.096 -0.585 1.00 0.00 C ATOM 335 CE1 PHE A 23 -5.851 5.730 -1.531 1.00 0.00 C ATOM 336 CE2 PHE A 23 -6.591 3.832 -0.219 1.00 0.00 C ATOM 337 CZ PHE A 23 -5.559 4.648 -0.693 1.00 0.00 C ATOM 0 H PHE A 23 -9.927 3.169 -2.443 1.00 0.00 H new ATOM 0 HA PHE A 23 -10.799 5.575 -3.654 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -9.876 6.517 -1.629 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -10.323 4.882 -1.184 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -7.401 6.833 -2.537 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -8.714 3.464 -0.221 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -5.054 6.359 -1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -6.365 2.998 0.429 1.00 0.00 H new ATOM 0 HZ PHE A 23 -4.536 4.443 -0.412 1.00 0.00 H new ATOM 347 N GLY A 24 -7.686 4.886 -4.266 1.00 0.00 N ATOM 348 CA GLY A 24 -6.531 5.319 -5.097 1.00 0.00 C ATOM 349 C GLY A 24 -6.846 5.060 -6.569 1.00 0.00 C ATOM 350 O GLY A 24 -6.447 5.809 -7.440 1.00 0.00 O ATOM 0 H GLY A 24 -7.579 3.976 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -6.329 6.378 -4.937 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -5.633 4.776 -4.804 1.00 0.00 H new ATOM 354 N ALA A 25 -7.563 4.007 -6.856 1.00 0.00 N ATOM 355 CA ALA A 25 -7.906 3.708 -8.275 1.00 0.00 C ATOM 356 C ALA A 25 -8.662 4.888 -8.884 1.00 0.00 C ATOM 357 O ALA A 25 -8.746 5.032 -10.088 1.00 0.00 O ATOM 358 CB ALA A 25 -8.801 2.467 -8.223 1.00 0.00 C ATOM 0 H ALA A 25 -7.925 3.343 -6.171 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.021 3.539 -8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -9.094 2.187 -9.235 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.255 1.644 -7.762 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -9.692 2.685 -7.635 1.00 0.00 H new ATOM 364 N ILE A 26 -9.204 5.742 -8.059 1.00 0.00 N ATOM 365 CA ILE A 26 -9.945 6.924 -8.587 1.00 0.00 C ATOM 366 C ILE A 26 -8.965 8.073 -8.711 1.00 0.00 C ATOM 367 O ILE A 26 -8.920 8.775 -9.702 1.00 0.00 O ATOM 368 CB ILE A 26 -11.035 7.200 -7.551 1.00 0.00 C ATOM 369 CG1 ILE A 26 -11.636 5.864 -7.084 1.00 0.00 C ATOM 370 CG2 ILE A 26 -12.134 8.061 -8.180 1.00 0.00 C ATOM 371 CD1 ILE A 26 -11.695 4.875 -8.260 1.00 0.00 C ATOM 0 H ILE A 26 -9.166 5.673 -7.042 1.00 0.00 H new ATOM 0 HA ILE A 26 -10.391 6.772 -9.570 1.00 0.00 H new ATOM 0 HB ILE A 26 -10.606 7.728 -6.700 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -11.033 5.447 -6.277 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -12.637 6.026 -6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -12.910 8.257 -7.441 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -11.708 9.006 -8.518 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -12.567 7.534 -9.030 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -12.122 3.931 -7.921 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -12.316 5.290 -9.054 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -10.688 4.702 -8.641 1.00 0.00 H new ATOM 383 N LEU A 27 -8.130 8.219 -7.729 1.00 0.00 N ATOM 384 CA LEU A 27 -7.086 9.263 -7.799 1.00 0.00 C ATOM 385 C LEU A 27 -6.340 9.083 -9.120 1.00 0.00 C ATOM 386 O LEU A 27 -5.736 9.994 -9.650 1.00 0.00 O ATOM 387 CB LEU A 27 -6.185 8.948 -6.608 1.00 0.00 C ATOM 388 CG LEU A 27 -6.644 9.739 -5.381 1.00 0.00 C ATOM 389 CD1 LEU A 27 -8.163 9.632 -5.231 1.00 0.00 C ATOM 390 CD2 LEU A 27 -5.968 9.172 -4.130 1.00 0.00 C ATOM 0 H LEU A 27 -8.127 7.657 -6.878 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.456 10.288 -7.762 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -6.212 7.880 -6.393 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.152 9.199 -6.847 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.369 10.786 -5.505 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.483 10.197 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.646 10.036 -6.121 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -8.444 8.586 -5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.293 9.734 -3.254 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.243 8.124 -4.011 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.886 9.254 -4.232 1.00 0.00 H new ATOM 402 N SER A 28 -6.398 7.889 -9.650 1.00 0.00 N ATOM 403 CA SER A 28 -5.724 7.582 -10.937 1.00 0.00 C ATOM 404 C SER A 28 -6.389 8.346 -12.087 1.00 0.00 C ATOM 405 O SER A 28 -5.869 8.411 -13.183 1.00 0.00 O ATOM 406 CB SER A 28 -5.933 6.077 -11.108 1.00 0.00 C ATOM 407 OG SER A 28 -4.897 5.381 -10.426 1.00 0.00 O ATOM 0 H SER A 28 -6.895 7.102 -9.233 1.00 0.00 H new ATOM 0 HA SER A 28 -4.672 7.868 -10.942 1.00 0.00 H new ATOM 0 HB2 SER A 28 -6.906 5.785 -10.712 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.928 5.815 -12.166 1.00 0.00 H new ATOM 0 HG SER A 28 -5.027 4.415 -10.531 1.00 0.00 H new ATOM 413 N SER A 29 -7.538 8.917 -11.849 1.00 0.00 N ATOM 414 CA SER A 29 -8.236 9.667 -12.933 1.00 0.00 C ATOM 415 C SER A 29 -8.793 10.986 -12.396 1.00 0.00 C ATOM 416 O SER A 29 -9.920 11.353 -12.667 1.00 0.00 O ATOM 417 CB SER A 29 -9.369 8.747 -13.378 1.00 0.00 C ATOM 418 OG SER A 29 -8.995 8.089 -14.581 1.00 0.00 O ATOM 0 H SER A 29 -8.024 8.897 -10.952 1.00 0.00 H new ATOM 0 HA SER A 29 -7.568 9.921 -13.756 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.584 8.014 -12.601 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.281 9.323 -13.534 1.00 0.00 H new ATOM 0 HG SER A 29 -9.720 7.496 -14.869 1.00 0.00 H new ATOM 424 N THR A 30 -8.009 11.701 -11.639 1.00 0.00 N ATOM 425 CA THR A 30 -8.487 13.000 -11.083 1.00 0.00 C ATOM 426 C THR A 30 -7.324 13.993 -11.008 1.00 0.00 C ATOM 427 O THR A 30 -7.203 14.886 -11.821 1.00 0.00 O ATOM 428 CB THR A 30 -9.008 12.666 -9.685 1.00 0.00 C ATOM 429 OG1 THR A 30 -7.930 12.228 -8.871 1.00 0.00 O ATOM 430 CG2 THR A 30 -10.061 11.560 -9.782 1.00 0.00 C ATOM 0 H THR A 30 -7.057 11.443 -11.380 1.00 0.00 H new ATOM 0 HA THR A 30 -9.259 13.460 -11.700 1.00 0.00 H new ATOM 0 HB THR A 30 -9.458 13.555 -9.243 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.175 12.320 -7.927 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.432 11.322 -8.785 1.00 0.00 H new ATOM 0 HG22 THR A 30 -10.888 11.899 -10.406 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.614 10.670 -10.224 1.00 0.00 H new ATOM 438 N ASN A 31 -6.465 13.837 -10.041 1.00 0.00 N ATOM 439 CA ASN A 31 -5.305 14.767 -9.918 1.00 0.00 C ATOM 440 C ASN A 31 -4.540 14.814 -11.244 1.00 0.00 C ATOM 441 O ASN A 31 -3.867 15.776 -11.554 1.00 0.00 O ATOM 442 CB ASN A 31 -4.433 14.179 -8.802 1.00 0.00 C ATOM 443 CG ASN A 31 -3.634 12.987 -9.337 1.00 0.00 C ATOM 444 OD1 ASN A 31 -2.419 13.022 -9.366 1.00 0.00 O ATOM 445 ND2 ASN A 31 -4.264 11.928 -9.763 1.00 0.00 N ATOM 0 H ASN A 31 -6.514 13.107 -9.330 1.00 0.00 H new ATOM 0 HA ASN A 31 -5.609 15.788 -9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.754 14.941 -8.420 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -5.059 13.863 -7.968 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -3.738 11.131 -10.120 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.283 11.897 -9.739 1.00 0.00 H new ATOM 452 N VAL A 32 -4.647 13.776 -12.030 1.00 0.00 N ATOM 453 CA VAL A 32 -3.935 13.752 -13.342 1.00 0.00 C ATOM 454 C VAL A 32 -4.881 14.219 -14.455 1.00 0.00 C ATOM 455 O VAL A 32 -4.451 14.652 -15.505 1.00 0.00 O ATOM 456 CB VAL A 32 -3.532 12.285 -13.542 1.00 0.00 C ATOM 457 CG1 VAL A 32 -3.342 11.989 -15.032 1.00 0.00 C ATOM 458 CG2 VAL A 32 -2.219 12.016 -12.805 1.00 0.00 C ATOM 0 H VAL A 32 -5.197 12.943 -11.820 1.00 0.00 H new ATOM 0 HA VAL A 32 -3.069 14.414 -13.366 1.00 0.00 H new ATOM 0 HB VAL A 32 -4.319 11.643 -13.147 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.056 10.945 -15.162 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.275 12.178 -15.562 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -2.559 12.632 -15.434 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.930 10.974 -12.945 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.439 12.666 -13.202 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.351 12.216 -11.742 1.00 0.00 H new ATOM 468 N GLY A 33 -6.163 14.134 -14.231 1.00 0.00 N ATOM 469 CA GLY A 33 -7.132 14.572 -15.276 1.00 0.00 C ATOM 470 C GLY A 33 -6.937 13.731 -16.538 1.00 0.00 C ATOM 471 O GLY A 33 -6.714 14.252 -17.613 1.00 0.00 O ATOM 0 H GLY A 33 -6.582 13.781 -13.371 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -8.153 14.464 -14.909 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.985 15.628 -15.504 1.00 0.00 H new ATOM 475 N SER A 34 -7.018 12.434 -16.419 1.00 0.00 N ATOM 476 CA SER A 34 -6.836 11.562 -17.616 1.00 0.00 C ATOM 477 C SER A 34 -8.181 11.319 -18.305 1.00 0.00 C ATOM 478 O SER A 34 -8.895 10.389 -17.985 1.00 0.00 O ATOM 479 CB SER A 34 -6.270 10.251 -17.073 1.00 0.00 C ATOM 480 OG SER A 34 -5.057 9.949 -17.752 1.00 0.00 O ATOM 0 H SER A 34 -7.202 11.940 -15.546 1.00 0.00 H new ATOM 0 HA SER A 34 -6.176 12.015 -18.356 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.090 10.335 -16.001 1.00 0.00 H new ATOM 0 HB3 SER A 34 -6.990 9.444 -17.213 1.00 0.00 H new ATOM 0 HG SER A 34 -4.689 9.109 -17.406 1.00 0.00 H new ATOM 486 N ASN A 35 -8.531 12.147 -19.252 1.00 0.00 N ATOM 487 CA ASN A 35 -9.828 11.960 -19.964 1.00 0.00 C ATOM 488 C ASN A 35 -9.575 11.607 -21.432 1.00 0.00 C ATOM 489 O ASN A 35 -8.448 11.448 -21.857 1.00 0.00 O ATOM 490 CB ASN A 35 -10.538 13.310 -19.852 1.00 0.00 C ATOM 491 CG ASN A 35 -9.620 14.415 -20.378 1.00 0.00 C ATOM 492 OD1 ASN A 35 -8.756 14.165 -21.197 1.00 0.00 O ATOM 493 ND2 ASN A 35 -9.768 15.634 -19.939 1.00 0.00 N ATOM 0 H ASN A 35 -7.976 12.944 -19.563 1.00 0.00 H new ATOM 0 HA ASN A 35 -10.422 11.151 -19.539 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.467 13.293 -20.422 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.805 13.508 -18.814 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -9.160 16.377 -20.282 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -10.492 15.844 -19.252 1.00 0.00 H new ATOM 500 N THR A 36 -10.615 11.485 -22.211 1.00 0.00 N ATOM 501 CA THR A 36 -10.434 11.145 -23.653 1.00 0.00 C ATOM 502 C THR A 36 -9.594 9.872 -23.794 1.00 0.00 C ATOM 503 O THR A 36 -8.383 9.922 -23.883 1.00 0.00 O ATOM 504 CB THR A 36 -9.699 12.343 -24.253 1.00 0.00 C ATOM 505 OG1 THR A 36 -10.554 13.478 -24.238 1.00 0.00 O ATOM 506 CG2 THR A 36 -9.294 12.026 -25.693 1.00 0.00 C ATOM 0 H THR A 36 -11.583 11.606 -21.912 1.00 0.00 H new ATOM 0 HA THR A 36 -11.382 10.956 -24.156 1.00 0.00 H new ATOM 0 HB THR A 36 -8.806 12.553 -23.665 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.083 14.247 -24.621 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.770 12.881 -26.120 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.638 11.156 -25.703 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.185 11.815 -26.284 1.00 0.00 H new ATOM 514 N TYR A 37 -10.229 8.731 -23.813 1.00 0.00 N ATOM 515 CA TYR A 37 -9.470 7.455 -23.946 1.00 0.00 C ATOM 516 C TYR A 37 -8.384 7.589 -25.017 1.00 0.00 C ATOM 517 O TYR A 37 -7.323 7.017 -24.830 1.00 0.00 O ATOM 518 CB TYR A 37 -10.516 6.424 -24.367 1.00 0.00 C ATOM 519 CG TYR A 37 -11.147 6.848 -25.671 1.00 0.00 C ATOM 520 CD1 TYR A 37 -12.256 7.704 -25.669 1.00 0.00 C ATOM 521 CD2 TYR A 37 -10.626 6.382 -26.883 1.00 0.00 C ATOM 522 CE1 TYR A 37 -12.841 8.095 -26.879 1.00 0.00 C ATOM 523 CE2 TYR A 37 -11.211 6.772 -28.094 1.00 0.00 C ATOM 524 CZ TYR A 37 -12.319 7.628 -28.091 1.00 0.00 C ATOM 525 OH TYR A 37 -12.896 8.013 -29.285 1.00 0.00 O ATOM 526 OXT TYR A 37 -8.632 8.261 -26.005 1.00 0.00 O ATOM 0 H TYR A 37 -11.241 8.628 -23.742 1.00 0.00 H new ATOM 0 HA TYR A 37 -8.965 7.175 -23.022 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -10.052 5.444 -24.477 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -11.280 6.330 -23.595 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -12.660 8.062 -24.734 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -9.772 5.721 -26.885 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -13.695 8.757 -26.878 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.808 6.413 -29.029 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.411 7.601 -30.030 1.00 0.00 H new TER 536 TYR A 37