USER MOD reduce.3.24.130724 H: found=0, std=0, add=274, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 276 hydrogens (2 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 4 THR OG1 : rot -111:sc= 0.0138 USER MOD Set 1.2: A 6 THR OG1 : rot 180:sc= -0.894 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.152 X(o=-0.15,f=0) USER MOD Single : A 9 THR OG1 : rot 90:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.478 X(o=-0.48,f=-6.5e-05) USER MOD Single : A 14 ASN : amide:sc= 0.353 X(o=0.35,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 99:sc= 0.211 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) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= 0.415 K(o=0.42,f=-4.1!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= -2.38! USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 2.286 -22.528 -7.023 1.00 0.00 N ATOM 2 CA LYS A 1 0.908 -23.090 -7.138 1.00 0.00 C ATOM 3 C LYS A 1 -0.111 -22.117 -6.540 1.00 0.00 C ATOM 4 O LYS A 1 0.178 -20.957 -6.322 1.00 0.00 O ATOM 5 CB LYS A 1 0.943 -24.390 -6.336 1.00 0.00 C ATOM 6 CG LYS A 1 0.924 -25.581 -7.294 1.00 0.00 C ATOM 7 CD LYS A 1 2.210 -26.391 -7.131 1.00 0.00 C ATOM 8 CE LYS A 1 2.085 -27.707 -7.900 1.00 0.00 C ATOM 9 NZ LYS A 1 2.606 -28.748 -6.971 1.00 0.00 N ATOM 0 H1 LYS A 1 2.969 -23.197 -7.432 1.00 0.00 H new ATOM 0 H2 LYS A 1 2.336 -21.625 -7.536 1.00 0.00 H new ATOM 0 H3 LYS A 1 2.514 -22.370 -6.021 1.00 0.00 H new ATOM 0 HA LYS A 1 0.615 -23.258 -8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 1 1.839 -24.423 -5.716 1.00 0.00 H new ATOM 0 HB3 LYS A 1 0.087 -24.438 -5.663 1.00 0.00 H new ATOM 0 HG2 LYS A 1 0.058 -26.210 -7.091 1.00 0.00 H new ATOM 0 HG3 LYS A 1 0.830 -25.232 -8.322 1.00 0.00 H new ATOM 0 HD2 LYS A 1 3.061 -25.820 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 1 2.395 -26.590 -6.076 1.00 0.00 H new ATOM 0 HE2 LYS A 1 1.049 -27.906 -8.175 1.00 0.00 H new ATOM 0 HE3 LYS A 1 2.661 -27.680 -8.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 2.552 -29.680 -7.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 3.596 -28.536 -6.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 2.034 -28.756 -6.102 1.00 0.00 H new ATOM 25 N CYS A 2 -1.302 -22.580 -6.270 1.00 0.00 N ATOM 26 CA CYS A 2 -2.337 -21.679 -5.685 1.00 0.00 C ATOM 27 C CYS A 2 -2.352 -21.811 -4.160 1.00 0.00 C ATOM 28 O CYS A 2 -3.134 -21.174 -3.481 1.00 0.00 O ATOM 29 CB CYS A 2 -3.661 -22.157 -6.277 1.00 0.00 C ATOM 30 SG CYS A 2 -4.620 -20.725 -6.830 1.00 0.00 S ATOM 0 H CYS A 2 -1.603 -23.542 -6.429 1.00 0.00 H new ATOM 0 HA CYS A 2 -2.146 -20.630 -5.911 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -3.476 -22.831 -7.114 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -4.223 -22.720 -5.532 1.00 0.00 H new ATOM 35 N ASN A 3 -1.496 -22.631 -3.617 1.00 0.00 N ATOM 36 CA ASN A 3 -1.462 -22.799 -2.135 1.00 0.00 C ATOM 37 C ASN A 3 -0.900 -21.538 -1.477 1.00 0.00 C ATOM 38 O ASN A 3 -0.985 -21.361 -0.278 1.00 0.00 O ATOM 39 CB ASN A 3 -0.532 -23.988 -1.895 1.00 0.00 C ATOM 40 CG ASN A 3 -1.314 -25.290 -2.070 1.00 0.00 C ATOM 41 OD1 ASN A 3 -1.550 -26.003 -1.115 1.00 0.00 O ATOM 42 ND2 ASN A 3 -1.730 -25.632 -3.258 1.00 0.00 N ATOM 0 H ASN A 3 -0.819 -23.192 -4.134 1.00 0.00 H new ATOM 0 HA ASN A 3 -2.453 -22.965 -1.713 1.00 0.00 H new ATOM 0 HB2 ASN A 3 0.304 -23.957 -2.594 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -0.110 -23.937 -0.891 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -2.254 -26.498 -3.385 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -1.532 -25.033 -4.060 1.00 0.00 H new ATOM 49 N THR A 4 -0.326 -20.662 -2.253 1.00 0.00 N ATOM 50 CA THR A 4 0.244 -19.414 -1.673 1.00 0.00 C ATOM 51 C THR A 4 -0.878 -18.442 -1.303 1.00 0.00 C ATOM 52 O THR A 4 -1.968 -18.501 -1.837 1.00 0.00 O ATOM 53 CB THR A 4 1.119 -18.825 -2.780 1.00 0.00 C ATOM 54 OG1 THR A 4 1.568 -17.535 -2.391 1.00 0.00 O ATOM 55 CG2 THR A 4 0.310 -18.718 -4.074 1.00 0.00 C ATOM 0 H THR A 4 -0.227 -20.756 -3.264 1.00 0.00 H new ATOM 0 HA THR A 4 0.812 -19.605 -0.763 1.00 0.00 H new ATOM 0 HB THR A 4 1.978 -19.474 -2.946 1.00 0.00 H new ATOM 0 HG1 THR A 4 1.143 -16.856 -2.956 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.936 -18.298 -4.861 1.00 0.00 H new ATOM 0 HG22 THR A 4 -0.032 -19.709 -4.372 1.00 0.00 H new ATOM 0 HG23 THR A 4 -0.552 -18.071 -3.912 1.00 0.00 H new ATOM 63 N ALA A 5 -0.618 -17.549 -0.390 1.00 0.00 N ATOM 64 CA ALA A 5 -1.664 -16.572 0.021 1.00 0.00 C ATOM 65 C ALA A 5 -2.245 -15.863 -1.194 1.00 0.00 C ATOM 66 O ALA A 5 -3.435 -15.680 -1.306 1.00 0.00 O ATOM 67 CB ALA A 5 -0.933 -15.549 0.884 1.00 0.00 C ATOM 0 H ALA A 5 0.276 -17.453 0.091 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.485 -17.065 0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -1.638 -14.792 1.227 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -0.490 -16.049 1.745 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -0.147 -15.073 0.297 1.00 0.00 H new ATOM 73 N THR A 6 -1.402 -15.439 -2.087 1.00 0.00 N ATOM 74 CA THR A 6 -1.878 -14.694 -3.282 1.00 0.00 C ATOM 75 C THR A 6 -3.010 -15.438 -3.992 1.00 0.00 C ATOM 76 O THR A 6 -3.978 -14.834 -4.396 1.00 0.00 O ATOM 77 CB THR A 6 -0.640 -14.586 -4.162 1.00 0.00 C ATOM 78 OG1 THR A 6 -0.236 -15.888 -4.564 1.00 0.00 O ATOM 79 CG2 THR A 6 0.481 -13.926 -3.355 1.00 0.00 C ATOM 0 H THR A 6 -0.393 -15.578 -2.041 1.00 0.00 H new ATOM 0 HA THR A 6 -2.296 -13.720 -3.029 1.00 0.00 H new ATOM 0 HB THR A 6 -0.859 -13.988 -5.047 1.00 0.00 H new ATOM 0 HG1 THR A 6 0.560 -15.823 -5.132 1.00 0.00 H new ATOM 0 HG21 THR A 6 1.374 -13.842 -3.974 1.00 0.00 H new ATOM 0 HG22 THR A 6 0.165 -12.932 -3.038 1.00 0.00 H new ATOM 0 HG23 THR A 6 0.703 -14.533 -2.477 1.00 0.00 H new ATOM 87 N CYS A 7 -2.937 -16.732 -4.128 1.00 0.00 N ATOM 88 CA CYS A 7 -4.072 -17.437 -4.789 1.00 0.00 C ATOM 89 C CYS A 7 -5.362 -16.966 -4.122 1.00 0.00 C ATOM 90 O CYS A 7 -6.298 -16.526 -4.761 1.00 0.00 O ATOM 91 CB CYS A 7 -3.844 -18.924 -4.518 1.00 0.00 C ATOM 92 SG CYS A 7 -5.265 -19.872 -5.116 1.00 0.00 S ATOM 0 H CYS A 7 -2.163 -17.320 -3.820 1.00 0.00 H new ATOM 0 HA CYS A 7 -4.138 -17.243 -5.860 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.934 -19.260 -5.015 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.704 -19.093 -3.450 1.00 0.00 H new ATOM 97 N ALA A 8 -5.386 -17.035 -2.823 1.00 0.00 N ATOM 98 CA ALA A 8 -6.569 -16.576 -2.049 1.00 0.00 C ATOM 99 C ALA A 8 -6.587 -15.056 -1.981 1.00 0.00 C ATOM 100 O ALA A 8 -7.556 -14.400 -2.293 1.00 0.00 O ATOM 101 CB ALA A 8 -6.298 -17.106 -0.651 1.00 0.00 C ATOM 0 H ALA A 8 -4.621 -17.397 -2.254 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.511 -16.910 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -7.116 -16.822 0.011 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -6.217 -18.193 -0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.366 -16.684 -0.276 1.00 0.00 H new ATOM 107 N THR A 9 -5.492 -14.524 -1.541 1.00 0.00 N ATOM 108 CA THR A 9 -5.323 -13.062 -1.377 1.00 0.00 C ATOM 109 C THR A 9 -5.504 -12.328 -2.708 1.00 0.00 C ATOM 110 O THR A 9 -5.695 -11.130 -2.756 1.00 0.00 O ATOM 111 CB THR A 9 -3.894 -12.950 -0.845 1.00 0.00 C ATOM 112 OG1 THR A 9 -3.886 -13.295 0.536 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.339 -11.531 -1.015 1.00 0.00 C ATOM 0 H THR A 9 -4.670 -15.067 -1.276 1.00 0.00 H new ATOM 0 HA THR A 9 -6.059 -12.607 -0.714 1.00 0.00 H new ATOM 0 HB THR A 9 -3.262 -13.630 -1.415 1.00 0.00 H new ATOM 0 HG1 THR A 9 -3.735 -14.259 0.632 1.00 0.00 H new ATOM 0 HG21 THR A 9 -2.322 -11.489 -0.626 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.334 -11.266 -2.072 1.00 0.00 H new ATOM 0 HG23 THR A 9 -3.966 -10.827 -0.468 1.00 0.00 H new ATOM 121 N GLN A 10 -5.432 -13.021 -3.793 1.00 0.00 N ATOM 122 CA GLN A 10 -5.586 -12.330 -5.095 1.00 0.00 C ATOM 123 C GLN A 10 -6.849 -11.470 -5.048 1.00 0.00 C ATOM 124 O GLN A 10 -6.918 -10.416 -5.651 1.00 0.00 O ATOM 125 CB GLN A 10 -5.732 -13.445 -6.128 1.00 0.00 C ATOM 126 CG GLN A 10 -5.913 -12.835 -7.519 1.00 0.00 C ATOM 127 CD GLN A 10 -4.593 -12.912 -8.286 1.00 0.00 C ATOM 128 OE1 GLN A 10 -4.580 -13.202 -9.466 1.00 0.00 O ATOM 129 NE2 GLN A 10 -3.474 -12.665 -7.662 1.00 0.00 N ATOM 0 H GLN A 10 -5.275 -14.028 -3.842 1.00 0.00 H new ATOM 0 HA GLN A 10 -4.745 -11.679 -5.334 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -4.851 -14.086 -6.113 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -6.588 -14.073 -5.881 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -6.693 -13.368 -8.063 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -6.236 -11.797 -7.433 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.485 -12.422 -6.672 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.588 -12.715 -8.165 1.00 0.00 H new ATOM 138 N ARG A 11 -7.842 -11.905 -4.323 1.00 0.00 N ATOM 139 CA ARG A 11 -9.093 -11.103 -4.225 1.00 0.00 C ATOM 140 C ARG A 11 -8.959 -10.030 -3.132 1.00 0.00 C ATOM 141 O ARG A 11 -9.298 -8.885 -3.343 1.00 0.00 O ATOM 142 CB ARG A 11 -10.207 -12.101 -3.882 1.00 0.00 C ATOM 143 CG ARG A 11 -9.917 -12.807 -2.557 1.00 0.00 C ATOM 144 CD ARG A 11 -10.599 -12.047 -1.418 1.00 0.00 C ATOM 145 NE ARG A 11 -11.762 -12.891 -1.032 1.00 0.00 N ATOM 146 CZ ARG A 11 -12.714 -12.393 -0.287 1.00 0.00 C ATOM 147 NH1 ARG A 11 -12.649 -11.153 0.118 1.00 0.00 N ATOM 148 NH2 ARG A 11 -13.732 -13.137 0.052 1.00 0.00 N ATOM 0 H ARG A 11 -7.841 -12.778 -3.796 1.00 0.00 H new ATOM 0 HA ARG A 11 -9.308 -10.577 -5.155 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.162 -11.579 -3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.298 -12.838 -4.679 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.280 -13.834 -2.592 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.842 -12.854 -2.385 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.920 -11.903 -0.578 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -10.920 -11.057 -1.741 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.817 -13.859 -1.349 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -11.854 -10.571 -0.147 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -13.393 -10.767 0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.784 -14.105 -0.264 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -14.475 -12.750 0.633 1.00 0.00 H new ATOM 162 N LEU A 12 -8.467 -10.382 -1.970 1.00 0.00 N ATOM 163 CA LEU A 12 -8.319 -9.365 -0.886 1.00 0.00 C ATOM 164 C LEU A 12 -7.156 -8.468 -1.170 1.00 0.00 C ATOM 165 O LEU A 12 -7.103 -7.354 -0.695 1.00 0.00 O ATOM 166 CB LEU A 12 -8.188 -10.154 0.434 1.00 0.00 C ATOM 167 CG LEU A 12 -6.756 -10.162 1.008 1.00 0.00 C ATOM 168 CD1 LEU A 12 -5.779 -10.628 -0.037 1.00 0.00 C ATOM 169 CD2 LEU A 12 -6.327 -8.787 1.454 1.00 0.00 C ATOM 0 H LEU A 12 -8.163 -11.325 -1.727 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.178 -8.698 -0.818 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.865 -9.725 1.173 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.509 -11.182 0.267 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.762 -10.837 1.864 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.772 -10.629 0.381 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.041 -11.637 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.815 -9.956 -0.894 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.313 -8.833 1.852 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.352 -8.105 0.604 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -7.005 -8.428 2.228 1.00 0.00 H new ATOM 181 N ALA A 13 -6.241 -8.905 -1.961 1.00 0.00 N ATOM 182 CA ALA A 13 -5.109 -8.027 -2.284 1.00 0.00 C ATOM 183 C ALA A 13 -5.656 -6.652 -2.521 1.00 0.00 C ATOM 184 O ALA A 13 -5.095 -5.663 -2.126 1.00 0.00 O ATOM 185 CB ALA A 13 -4.567 -8.597 -3.574 1.00 0.00 C ATOM 0 H ALA A 13 -6.226 -9.827 -2.397 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.347 -7.970 -1.507 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.712 -8.006 -3.902 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.255 -9.629 -3.413 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -5.343 -8.567 -4.339 1.00 0.00 H new ATOM 191 N ASN A 14 -6.799 -6.643 -3.118 1.00 0.00 N ATOM 192 CA ASN A 14 -7.529 -5.401 -3.410 1.00 0.00 C ATOM 193 C ASN A 14 -7.927 -4.697 -2.109 1.00 0.00 C ATOM 194 O ASN A 14 -7.754 -3.509 -1.936 1.00 0.00 O ATOM 195 CB ASN A 14 -8.776 -5.931 -4.098 1.00 0.00 C ATOM 196 CG ASN A 14 -8.468 -6.277 -5.551 1.00 0.00 C ATOM 197 OD1 ASN A 14 -8.190 -5.410 -6.356 1.00 0.00 O ATOM 198 ND2 ASN A 14 -8.507 -7.529 -5.918 1.00 0.00 N ATOM 0 H ASN A 14 -7.278 -7.488 -3.429 1.00 0.00 H new ATOM 0 HA ASN A 14 -6.956 -4.681 -3.994 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -9.141 -6.815 -3.575 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -9.569 -5.185 -4.054 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -8.304 -7.784 -6.885 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.741 -8.253 -5.238 1.00 0.00 H new ATOM 205 N PHE A 15 -8.472 -5.459 -1.211 1.00 0.00 N ATOM 206 CA PHE A 15 -8.928 -4.932 0.105 1.00 0.00 C ATOM 207 C PHE A 15 -7.788 -4.193 0.796 1.00 0.00 C ATOM 208 O PHE A 15 -7.980 -3.218 1.494 1.00 0.00 O ATOM 209 CB PHE A 15 -9.335 -6.233 0.833 1.00 0.00 C ATOM 210 CG PHE A 15 -8.849 -6.339 2.260 1.00 0.00 C ATOM 211 CD1 PHE A 15 -8.805 -5.240 3.113 1.00 0.00 C ATOM 212 CD2 PHE A 15 -8.475 -7.595 2.729 1.00 0.00 C ATOM 213 CE1 PHE A 15 -8.373 -5.409 4.433 1.00 0.00 C ATOM 214 CE2 PHE A 15 -8.049 -7.773 4.036 1.00 0.00 C ATOM 215 CZ PHE A 15 -7.994 -6.675 4.898 1.00 0.00 C ATOM 0 H PHE A 15 -8.627 -6.459 -1.336 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.738 -4.204 0.063 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.422 -6.311 0.827 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -8.952 -7.083 0.269 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -9.102 -4.264 2.759 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -8.517 -8.445 2.064 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -8.331 -4.559 5.097 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -7.762 -8.754 4.385 1.00 0.00 H new ATOM 0 HZ PHE A 15 -7.661 -6.801 5.918 1.00 0.00 H new ATOM 225 N LEU A 16 -6.608 -4.670 0.615 1.00 0.00 N ATOM 226 CA LEU A 16 -5.430 -4.055 1.268 1.00 0.00 C ATOM 227 C LEU A 16 -4.776 -2.984 0.405 1.00 0.00 C ATOM 228 O LEU A 16 -4.574 -1.865 0.834 1.00 0.00 O ATOM 229 CB LEU A 16 -4.530 -5.259 1.418 1.00 0.00 C ATOM 230 CG LEU A 16 -5.165 -6.200 2.422 1.00 0.00 C ATOM 231 CD1 LEU A 16 -4.213 -7.358 2.724 1.00 0.00 C ATOM 232 CD2 LEU A 16 -5.488 -5.443 3.711 1.00 0.00 C ATOM 0 H LEU A 16 -6.398 -5.479 0.030 1.00 0.00 H new ATOM 0 HA LEU A 16 -5.665 -3.535 2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.400 -5.758 0.458 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.540 -4.954 1.756 1.00 0.00 H new ATOM 0 HG LEU A 16 -6.088 -6.599 2.002 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.676 -8.030 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -4.001 -7.904 1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.283 -6.966 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -5.944 -6.125 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -4.570 -5.034 4.132 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -6.180 -4.630 3.492 1.00 0.00 H new ATOM 244 N VAL A 17 -4.443 -3.310 -0.801 1.00 0.00 N ATOM 245 CA VAL A 17 -3.804 -2.304 -1.682 1.00 0.00 C ATOM 246 C VAL A 17 -4.744 -1.115 -1.819 1.00 0.00 C ATOM 247 O VAL A 17 -4.331 0.026 -1.873 1.00 0.00 O ATOM 248 CB VAL A 17 -3.597 -3.039 -2.999 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.581 -4.160 -2.767 1.00 0.00 C ATOM 250 CG2 VAL A 17 -4.919 -3.655 -3.460 1.00 0.00 C ATOM 0 H VAL A 17 -4.584 -4.230 -1.219 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.859 -1.910 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.239 -2.345 -3.760 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.417 -4.701 -3.699 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.639 -3.732 -2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.963 -4.847 -2.011 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.766 -4.180 -4.403 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.275 -4.358 -2.707 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.659 -2.867 -3.599 1.00 0.00 H new ATOM 260 N ARG A 18 -6.012 -1.388 -1.841 1.00 0.00 N ATOM 261 CA ARG A 18 -7.018 -0.305 -1.934 1.00 0.00 C ATOM 262 C ARG A 18 -7.193 0.338 -0.554 1.00 0.00 C ATOM 263 O ARG A 18 -7.760 1.404 -0.416 1.00 0.00 O ATOM 264 CB ARG A 18 -8.288 -1.030 -2.358 1.00 0.00 C ATOM 265 CG ARG A 18 -9.367 -0.010 -2.724 1.00 0.00 C ATOM 266 CD ARG A 18 -10.514 -0.717 -3.447 1.00 0.00 C ATOM 267 NE ARG A 18 -11.710 -0.477 -2.594 1.00 0.00 N ATOM 268 CZ ARG A 18 -12.205 0.726 -2.480 1.00 0.00 C ATOM 269 NH1 ARG A 18 -11.653 1.727 -3.112 1.00 0.00 N ATOM 270 NH2 ARG A 18 -13.257 0.929 -1.733 1.00 0.00 N ATOM 0 H ARG A 18 -6.400 -2.330 -1.798 1.00 0.00 H new ATOM 0 HA ARG A 18 -6.746 0.492 -2.626 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.081 -1.677 -3.211 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -8.639 -1.671 -1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -9.738 0.481 -1.824 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.946 0.768 -3.361 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -10.657 -0.314 -4.450 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -10.314 -1.783 -3.557 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.144 -1.255 -2.097 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -10.832 1.570 -3.697 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.043 2.665 -3.020 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -13.691 0.149 -1.240 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.645 1.868 -1.643 1.00 0.00 H new ATOM 284 N SER A 19 -6.707 -0.318 0.468 1.00 0.00 N ATOM 285 CA SER A 19 -6.835 0.227 1.850 1.00 0.00 C ATOM 286 C SER A 19 -6.058 1.540 1.983 1.00 0.00 C ATOM 287 O SER A 19 -6.344 2.360 2.834 1.00 0.00 O ATOM 288 CB SER A 19 -6.225 -0.846 2.751 1.00 0.00 C ATOM 289 OG SER A 19 -6.984 -0.939 3.949 1.00 0.00 O ATOM 0 H SER A 19 -6.224 -1.214 0.402 1.00 0.00 H new ATOM 0 HA SER A 19 -7.870 0.446 2.111 1.00 0.00 H new ATOM 0 HB2 SER A 19 -6.216 -1.807 2.237 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.189 -0.598 2.981 1.00 0.00 H new ATOM 0 HG SER A 19 -6.597 -1.628 4.529 1.00 0.00 H new ATOM 295 N SER A 20 -5.074 1.740 1.151 1.00 0.00 N ATOM 296 CA SER A 20 -4.267 2.994 1.226 1.00 0.00 C ATOM 297 C SER A 20 -5.167 4.207 1.487 1.00 0.00 C ATOM 298 O SER A 20 -4.824 5.091 2.247 1.00 0.00 O ATOM 299 CB SER A 20 -3.601 3.111 -0.145 1.00 0.00 C ATOM 300 OG SER A 20 -2.632 2.079 -0.287 1.00 0.00 O ATOM 0 H SER A 20 -4.792 1.088 0.419 1.00 0.00 H new ATOM 0 HA SER A 20 -3.542 2.965 2.040 1.00 0.00 H new ATOM 0 HB2 SER A 20 -4.350 3.034 -0.933 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.127 4.087 -0.250 1.00 0.00 H new ATOM 0 HG SER A 20 -3.013 1.342 -0.809 1.00 0.00 H new ATOM 306 N ASN A 21 -6.308 4.261 0.859 1.00 0.00 N ATOM 307 CA ASN A 21 -7.221 5.425 1.064 1.00 0.00 C ATOM 308 C ASN A 21 -7.275 5.820 2.544 1.00 0.00 C ATOM 309 O ASN A 21 -6.670 6.788 2.960 1.00 0.00 O ATOM 310 CB ASN A 21 -8.591 4.944 0.588 1.00 0.00 C ATOM 311 CG ASN A 21 -8.915 5.583 -0.762 1.00 0.00 C ATOM 312 OD1 ASN A 21 -8.596 5.035 -1.798 1.00 0.00 O ATOM 313 ND2 ASN A 21 -9.540 6.728 -0.795 1.00 0.00 N ATOM 0 H ASN A 21 -6.650 3.550 0.212 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.883 6.307 0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.596 3.858 0.499 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -9.355 5.207 1.320 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -9.761 7.163 -1.691 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -9.808 7.188 0.075 1.00 0.00 H new ATOM 320 N ASN A 22 -8.001 5.082 3.341 1.00 0.00 N ATOM 321 CA ASN A 22 -8.098 5.424 4.790 1.00 0.00 C ATOM 322 C ASN A 22 -6.745 5.230 5.478 1.00 0.00 C ATOM 323 O ASN A 22 -6.407 5.931 6.410 1.00 0.00 O ATOM 324 CB ASN A 22 -9.132 4.451 5.357 1.00 0.00 C ATOM 325 CG ASN A 22 -9.419 4.802 6.819 1.00 0.00 C ATOM 326 OD1 ASN A 22 -10.120 5.753 7.101 1.00 0.00 O ATOM 327 ND2 ASN A 22 -8.902 4.069 7.766 1.00 0.00 N ATOM 0 H ASN A 22 -8.530 4.259 3.052 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.384 6.464 4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.051 4.500 4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -8.762 3.428 5.284 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.086 4.294 8.744 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.313 3.270 7.529 1.00 0.00 H new ATOM 334 N LEU A 23 -5.968 4.283 5.028 1.00 0.00 N ATOM 335 CA LEU A 23 -4.639 4.048 5.662 1.00 0.00 C ATOM 336 C LEU A 23 -3.748 5.282 5.496 1.00 0.00 C ATOM 337 O LEU A 23 -3.106 5.725 6.427 1.00 0.00 O ATOM 338 CB LEU A 23 -4.049 2.853 4.915 1.00 0.00 C ATOM 339 CG LEU A 23 -2.861 2.296 5.700 1.00 0.00 C ATOM 340 CD1 LEU A 23 -3.362 1.628 6.981 1.00 0.00 C ATOM 341 CD2 LEU A 23 -2.125 1.264 4.841 1.00 0.00 C ATOM 0 H LEU A 23 -6.195 3.663 4.251 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.719 3.858 6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.807 2.081 4.786 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.730 3.156 3.918 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.182 3.109 5.958 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.514 1.231 7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.888 2.361 7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -4.041 0.814 6.726 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.277 0.865 5.398 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.806 0.452 4.585 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.767 1.739 3.928 1.00 0.00 H new ATOM 353 N GLY A 24 -3.704 5.841 4.317 1.00 0.00 N ATOM 354 CA GLY A 24 -2.855 7.046 4.093 1.00 0.00 C ATOM 355 C GLY A 24 -1.380 6.672 4.257 1.00 0.00 C ATOM 356 O GLY A 24 -0.755 7.026 5.237 1.00 0.00 O ATOM 0 H GLY A 24 -4.219 5.515 3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.030 7.446 3.094 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.123 7.829 4.802 1.00 0.00 H new ATOM 360 N PRO A 25 -0.875 5.965 3.283 1.00 0.00 N ATOM 361 CA PRO A 25 0.542 5.533 3.311 1.00 0.00 C ATOM 362 C PRO A 25 1.465 6.700 2.970 1.00 0.00 C ATOM 363 O PRO A 25 1.897 7.433 3.836 1.00 0.00 O ATOM 364 CB PRO A 25 0.608 4.450 2.239 1.00 0.00 C ATOM 365 CG PRO A 25 -0.518 4.756 1.300 1.00 0.00 C ATOM 366 CD PRO A 25 -1.571 5.506 2.078 1.00 0.00 C ATOM 0 HA PRO A 25 0.861 5.175 4.290 1.00 0.00 H new ATOM 0 HB2 PRO A 25 1.567 4.466 1.722 1.00 0.00 H new ATOM 0 HB3 PRO A 25 0.498 3.457 2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -0.164 5.354 0.460 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -0.931 3.837 0.885 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -1.967 6.344 1.505 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -2.415 4.863 2.327 1.00 0.00 H new ATOM 374 N VAL A 26 1.778 6.877 1.719 1.00 0.00 N ATOM 375 CA VAL A 26 2.677 7.996 1.344 1.00 0.00 C ATOM 376 C VAL A 26 2.186 8.661 0.056 1.00 0.00 C ATOM 377 O VAL A 26 2.934 8.853 -0.881 1.00 0.00 O ATOM 378 CB VAL A 26 4.044 7.347 1.137 1.00 0.00 C ATOM 379 CG1 VAL A 26 4.642 6.973 2.493 1.00 0.00 C ATOM 380 CG2 VAL A 26 3.886 6.087 0.283 1.00 0.00 C ATOM 0 H VAL A 26 1.452 6.298 0.945 1.00 0.00 H new ATOM 0 HA VAL A 26 2.710 8.777 2.104 1.00 0.00 H new ATOM 0 HB VAL A 26 4.706 8.049 0.630 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.618 6.510 2.345 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.755 7.871 3.101 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.981 6.271 3.001 1.00 0.00 H new ATOM 0 HG21 VAL A 26 4.861 5.623 0.135 1.00 0.00 H new ATOM 0 HG22 VAL A 26 3.224 5.385 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.461 6.354 -0.684 1.00 0.00 H new ATOM 390 N LEU A 27 0.931 9.013 0.003 1.00 0.00 N ATOM 391 CA LEU A 27 0.385 9.665 -1.221 1.00 0.00 C ATOM 392 C LEU A 27 0.697 11.165 -1.210 1.00 0.00 C ATOM 393 O LEU A 27 0.107 11.910 -0.452 1.00 0.00 O ATOM 394 CB LEU A 27 -1.125 9.436 -1.149 1.00 0.00 C ATOM 395 CG LEU A 27 -1.575 8.595 -2.344 1.00 0.00 C ATOM 396 CD1 LEU A 27 -0.858 7.244 -2.319 1.00 0.00 C ATOM 397 CD2 LEU A 27 -3.086 8.371 -2.268 1.00 0.00 C ATOM 0 H LEU A 27 0.258 8.877 0.757 1.00 0.00 H new ATOM 0 HA LEU A 27 0.820 9.257 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.382 8.930 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.648 10.392 -1.147 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.330 9.118 -3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.180 6.646 -3.171 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.219 7.403 -2.373 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.102 6.720 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.408 7.772 -3.119 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.330 7.849 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.598 9.333 -2.287 1.00 0.00 H new ATOM 409 N PRO A 28 1.612 11.565 -2.058 1.00 0.00 N ATOM 410 CA PRO A 28 2.013 12.966 -2.172 1.00 0.00 C ATOM 411 C PRO A 28 1.474 13.605 -3.472 1.00 0.00 C ATOM 412 O PRO A 28 2.051 14.564 -3.947 1.00 0.00 O ATOM 413 CB PRO A 28 3.532 12.813 -2.273 1.00 0.00 C ATOM 414 CG PRO A 28 3.750 11.441 -2.880 1.00 0.00 C ATOM 415 CD PRO A 28 2.392 10.782 -2.997 1.00 0.00 C ATOM 0 HA PRO A 28 1.651 13.597 -1.360 1.00 0.00 H new ATOM 0 HB2 PRO A 28 3.966 13.594 -2.897 1.00 0.00 H new ATOM 0 HB3 PRO A 28 4.002 12.890 -1.293 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.223 11.524 -3.859 1.00 0.00 H new ATOM 0 HG3 PRO A 28 4.414 10.845 -2.255 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.994 10.839 -4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 28 2.423 9.727 -2.726 1.00 0.00 H new ATOM 423 N PRO A 29 0.409 13.064 -4.041 1.00 0.00 N ATOM 424 CA PRO A 29 -0.119 13.624 -5.303 1.00 0.00 C ATOM 425 C PRO A 29 -1.128 14.740 -5.016 1.00 0.00 C ATOM 426 O PRO A 29 -2.273 14.486 -4.700 1.00 0.00 O ATOM 427 CB PRO A 29 -0.803 12.414 -5.912 1.00 0.00 C ATOM 428 CG PRO A 29 -1.384 11.709 -4.738 1.00 0.00 C ATOM 429 CD PRO A 29 -0.412 11.912 -3.607 1.00 0.00 C ATOM 0 HA PRO A 29 0.637 14.074 -5.946 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -1.574 12.706 -6.625 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -0.095 11.782 -6.449 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -2.365 12.113 -4.487 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -1.521 10.648 -4.949 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -0.928 12.121 -2.670 1.00 0.00 H new ATOM 0 HD3 PRO A 29 0.200 11.025 -3.443 1.00 0.00 H new ATOM 437 N THR A 30 -0.715 15.973 -5.122 1.00 0.00 N ATOM 438 CA THR A 30 -1.656 17.098 -4.854 1.00 0.00 C ATOM 439 C THR A 30 -1.267 18.321 -5.688 1.00 0.00 C ATOM 440 O THR A 30 -0.717 19.280 -5.184 1.00 0.00 O ATOM 441 CB THR A 30 -1.508 17.393 -3.361 1.00 0.00 C ATOM 442 OG1 THR A 30 -2.475 18.357 -2.971 1.00 0.00 O ATOM 443 CG2 THR A 30 -0.104 17.933 -3.081 1.00 0.00 C ATOM 0 H THR A 30 0.232 16.250 -5.382 1.00 0.00 H new ATOM 0 HA THR A 30 -2.684 16.849 -5.118 1.00 0.00 H new ATOM 0 HB THR A 30 -1.661 16.475 -2.793 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.382 18.545 -2.014 1.00 0.00 H new ATOM 0 HG21 THR A 30 -0.000 18.143 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.637 17.191 -3.379 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.053 18.850 -3.648 1.00 0.00 H new ATOM 451 N ASN A 31 -1.550 18.294 -6.961 1.00 0.00 N ATOM 452 CA ASN A 31 -1.194 19.453 -7.829 1.00 0.00 C ATOM 453 C ASN A 31 -2.450 20.247 -8.201 1.00 0.00 C ATOM 454 O ASN A 31 -2.785 20.388 -9.360 1.00 0.00 O ATOM 455 CB ASN A 31 -0.561 18.835 -9.076 1.00 0.00 C ATOM 456 CG ASN A 31 -1.470 17.727 -9.615 1.00 0.00 C ATOM 457 OD1 ASN A 31 -1.593 16.680 -9.012 1.00 0.00 O ATOM 458 ND2 ASN A 31 -2.114 17.915 -10.734 1.00 0.00 N ATOM 0 H ASN A 31 -2.012 17.520 -7.438 1.00 0.00 H new ATOM 0 HA ASN A 31 -0.519 20.148 -7.330 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -0.411 19.600 -9.838 1.00 0.00 H new ATOM 0 HB3 ASN A 31 0.421 18.429 -8.835 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.721 17.183 -11.102 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -2.011 18.794 -11.240 1.00 0.00 H new ATOM 465 N VAL A 32 -3.144 20.772 -7.228 1.00 0.00 N ATOM 466 CA VAL A 32 -4.373 21.561 -7.532 1.00 0.00 C ATOM 467 C VAL A 32 -4.064 23.059 -7.467 1.00 0.00 C ATOM 468 O VAL A 32 -4.792 23.878 -7.991 1.00 0.00 O ATOM 469 CB VAL A 32 -5.377 21.174 -6.445 1.00 0.00 C ATOM 470 CG1 VAL A 32 -4.782 21.476 -5.068 1.00 0.00 C ATOM 471 CG2 VAL A 32 -6.663 21.981 -6.631 1.00 0.00 C ATOM 0 H VAL A 32 -2.914 20.689 -6.238 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.758 21.356 -8.531 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.600 20.110 -6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.498 21.200 -4.294 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.864 20.903 -4.935 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -4.559 22.540 -4.993 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.380 21.707 -5.857 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.439 23.045 -6.557 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.088 21.767 -7.612 1.00 0.00 H new ATOM 481 N GLY A 33 -2.988 23.420 -6.824 1.00 0.00 N ATOM 482 CA GLY A 33 -2.627 24.862 -6.720 1.00 0.00 C ATOM 483 C GLY A 33 -1.872 25.100 -5.412 1.00 0.00 C ATOM 484 O GLY A 33 -1.032 25.973 -5.320 1.00 0.00 O ATOM 0 H GLY A 33 -2.342 22.778 -6.365 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.009 25.156 -7.569 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.526 25.477 -6.752 1.00 0.00 H new ATOM 488 N SER A 34 -2.164 24.327 -4.402 1.00 0.00 N ATOM 489 CA SER A 34 -1.463 24.501 -3.098 1.00 0.00 C ATOM 490 C SER A 34 -1.401 25.983 -2.719 1.00 0.00 C ATOM 491 O SER A 34 -1.982 26.828 -3.371 1.00 0.00 O ATOM 492 CB SER A 34 -0.058 23.947 -3.329 1.00 0.00 C ATOM 493 OG SER A 34 0.294 23.091 -2.250 1.00 0.00 O ATOM 0 H SER A 34 -2.859 23.581 -4.424 1.00 0.00 H new ATOM 0 HA SER A 34 -1.976 23.990 -2.283 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.021 23.398 -4.270 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.659 24.764 -3.408 1.00 0.00 H new ATOM 0 HG SER A 34 1.194 22.733 -2.397 1.00 0.00 H new ATOM 499 N ASN A 35 -0.698 26.303 -1.666 1.00 0.00 N ATOM 500 CA ASN A 35 -0.593 27.728 -1.242 1.00 0.00 C ATOM 501 C ASN A 35 0.862 28.194 -1.337 1.00 0.00 C ATOM 502 O ASN A 35 1.196 29.301 -0.961 1.00 0.00 O ATOM 503 CB ASN A 35 -1.066 27.747 0.212 1.00 0.00 C ATOM 504 CG ASN A 35 -2.583 27.947 0.254 1.00 0.00 C ATOM 505 OD1 ASN A 35 -3.317 27.038 0.588 1.00 0.00 O ATOM 506 ND2 ASN A 35 -3.085 29.106 -0.073 1.00 0.00 N ATOM 0 H ASN A 35 -0.192 25.638 -1.081 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.186 28.392 -1.870 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.798 26.812 0.705 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.568 28.549 0.757 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.095 29.250 -0.048 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.468 29.868 -0.353 1.00 0.00 H new ATOM 513 N THR A 36 1.729 27.355 -1.836 1.00 0.00 N ATOM 514 CA THR A 36 3.163 27.745 -1.954 1.00 0.00 C ATOM 515 C THR A 36 3.625 28.454 -0.677 1.00 0.00 C ATOM 516 O THR A 36 4.030 27.824 0.279 1.00 0.00 O ATOM 517 CB THR A 36 3.216 28.690 -3.157 1.00 0.00 C ATOM 518 OG1 THR A 36 2.237 29.709 -3.001 1.00 0.00 O ATOM 519 CG2 THR A 36 2.937 27.903 -4.438 1.00 0.00 C ATOM 0 H THR A 36 1.506 26.416 -2.167 1.00 0.00 H new ATOM 0 HA THR A 36 3.820 26.886 -2.087 1.00 0.00 H new ATOM 0 HB THR A 36 4.205 29.144 -3.220 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.271 30.316 -3.770 1.00 0.00 H new ATOM 0 HG21 THR A 36 2.975 28.576 -5.294 1.00 0.00 H new ATOM 0 HG22 THR A 36 3.689 27.123 -4.557 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.948 27.448 -4.378 1.00 0.00 H new ATOM 527 N TYR A 37 3.567 29.757 -0.652 1.00 0.00 N ATOM 528 CA TYR A 37 4.005 30.496 0.569 1.00 0.00 C ATOM 529 C TYR A 37 2.792 31.084 1.295 1.00 0.00 C ATOM 530 O TYR A 37 2.883 32.122 1.921 1.00 0.00 O ATOM 531 CB TYR A 37 4.915 31.612 0.054 1.00 0.00 C ATOM 532 CG TYR A 37 5.888 31.042 -0.949 1.00 0.00 C ATOM 533 CD1 TYR A 37 6.824 30.080 -0.548 1.00 0.00 C ATOM 534 CD2 TYR A 37 5.854 31.474 -2.280 1.00 0.00 C ATOM 535 CE1 TYR A 37 7.725 29.550 -1.479 1.00 0.00 C ATOM 536 CE2 TYR A 37 6.756 30.944 -3.210 1.00 0.00 C ATOM 537 CZ TYR A 37 7.691 29.981 -2.810 1.00 0.00 C ATOM 538 OH TYR A 37 8.579 29.459 -3.728 1.00 0.00 O ATOM 0 H TYR A 37 3.237 30.341 -1.420 1.00 0.00 H new ATOM 0 HA TYR A 37 4.518 29.849 1.281 1.00 0.00 H new ATOM 0 HB2 TYR A 37 4.319 32.399 -0.408 1.00 0.00 H new ATOM 0 HB3 TYR A 37 5.456 32.067 0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 37 6.850 29.747 0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 37 5.132 32.216 -2.589 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.447 28.808 -1.170 1.00 0.00 H new ATOM 0 HE2 TYR A 37 6.731 31.278 -4.237 1.00 0.00 H new ATOM 0 HH TYR A 37 8.419 29.865 -4.605 1.00 0.00 H new HETATM 548 N NH2 A 38 1.649 30.457 1.238 1.00 0.00 N TER 551 NH2 A 38