USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=11 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 -79:sc= 0.438! USER MOD Set 1.2: A 31 ASN : amide:sc= -3.93! C(o=-3.5!,f=-3.9!) 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= -2.69! C(o=-2.7!,f=-4.5!) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 105:sc= 0.83 USER MOD Single : A 10 GLN : amide:sc= -1.33 K(o=-1.3,f=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 18 HIS : no HD1:sc= -0.781 K(o=-0.78,f=-0.065) USER MOD Single : A 19 SER OG : rot -81:sc= 0.987 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.0285 X(o=-0.029,f=0) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 SER OG : rot 106:sc= 0.907 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0589 USER MOD Single : A 34 SER OG : rot 180:sc= -0.374 USER MOD Single : A 35 ASN : amide:sc= -0.317 K(o=-0.32,f=-2.9!) 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 -15.515 -20.320 -0.297 1.00 0.00 N ATOM 2 CA LYS A 1 -14.105 -20.321 0.189 1.00 0.00 C ATOM 3 C LYS A 1 -13.191 -20.976 -0.848 1.00 0.00 C ATOM 4 O LYS A 1 -13.586 -21.878 -1.561 1.00 0.00 O ATOM 5 CB LYS A 1 -14.126 -21.143 1.479 1.00 0.00 C ATOM 6 CG LYS A 1 -13.451 -20.347 2.598 1.00 0.00 C ATOM 7 CD LYS A 1 -13.169 -21.270 3.786 1.00 0.00 C ATOM 8 CE LYS A 1 -14.489 -21.809 4.341 1.00 0.00 C ATOM 9 NZ LYS A 1 -14.134 -23.100 4.996 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.127 -19.873 0.415 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.575 -19.788 -1.188 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.828 -21.299 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 1 -13.727 -19.312 0.357 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -15.153 -21.381 1.755 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -13.609 -22.091 1.328 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -12.521 -19.909 2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -14.092 -19.522 2.909 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.530 -22.096 3.474 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -12.631 -20.726 4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -14.931 -21.113 5.054 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -15.220 -21.958 3.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -14.990 -23.531 5.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -13.722 -23.745 4.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -13.442 -22.927 5.753 1.00 0.00 H new ATOM 25 N CYS A 2 -11.969 -20.528 -0.937 1.00 0.00 N ATOM 26 CA CYS A 2 -11.024 -21.120 -1.927 1.00 0.00 C ATOM 27 C CYS A 2 -10.954 -22.643 -1.763 1.00 0.00 C ATOM 28 O CYS A 2 -11.617 -23.385 -2.458 1.00 0.00 O ATOM 29 CB CYS A 2 -9.667 -20.501 -1.591 1.00 0.00 C ATOM 30 SG CYS A 2 -9.156 -19.368 -2.905 1.00 0.00 S ATOM 0 H CYS A 2 -11.583 -19.776 -0.366 1.00 0.00 H new ATOM 0 HA CYS A 2 -11.334 -20.922 -2.953 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -9.727 -19.967 -0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -8.921 -21.286 -1.467 1.00 0.00 H new ATOM 35 N ASN A 3 -10.140 -23.097 -0.846 1.00 0.00 N ATOM 36 CA ASN A 3 -9.974 -24.561 -0.599 1.00 0.00 C ATOM 37 C ASN A 3 -8.688 -24.740 0.204 1.00 0.00 C ATOM 38 O ASN A 3 -8.533 -25.664 0.979 1.00 0.00 O ATOM 39 CB ASN A 3 -9.851 -25.213 -1.982 1.00 0.00 C ATOM 40 CG ASN A 3 -9.271 -26.623 -1.838 1.00 0.00 C ATOM 41 OD1 ASN A 3 -9.097 -27.111 -0.741 1.00 0.00 O ATOM 42 ND2 ASN A 3 -8.968 -27.304 -2.910 1.00 0.00 N ATOM 0 H ASN A 3 -9.571 -22.501 -0.245 1.00 0.00 H new ATOM 0 HA ASN A 3 -10.801 -25.007 -0.047 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -10.829 -25.259 -2.461 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -9.209 -24.609 -2.624 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -8.585 -28.246 -2.825 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -9.114 -26.894 -3.833 1.00 0.00 H new ATOM 49 N THR A 4 -7.777 -23.823 0.030 1.00 0.00 N ATOM 50 CA THR A 4 -6.495 -23.864 0.773 1.00 0.00 C ATOM 51 C THR A 4 -6.366 -22.583 1.585 1.00 0.00 C ATOM 52 O THR A 4 -6.394 -21.494 1.047 1.00 0.00 O ATOM 53 CB THR A 4 -5.416 -23.945 -0.310 1.00 0.00 C ATOM 54 OG1 THR A 4 -5.989 -24.459 -1.504 1.00 0.00 O ATOM 55 CG2 THR A 4 -4.285 -24.869 0.153 1.00 0.00 C ATOM 0 H THR A 4 -7.873 -23.034 -0.609 1.00 0.00 H new ATOM 0 HA THR A 4 -6.418 -24.702 1.466 1.00 0.00 H new ATOM 0 HB THR A 4 -5.012 -22.950 -0.495 1.00 0.00 H new ATOM 0 HG1 THR A 4 -5.302 -24.511 -2.201 1.00 0.00 H new ATOM 0 HG21 THR A 4 -3.520 -24.923 -0.621 1.00 0.00 H new ATOM 0 HG22 THR A 4 -3.846 -24.476 1.070 1.00 0.00 H new ATOM 0 HG23 THR A 4 -4.683 -25.866 0.340 1.00 0.00 H new ATOM 63 N ALA A 5 -6.231 -22.705 2.879 1.00 0.00 N ATOM 64 CA ALA A 5 -6.100 -21.495 3.742 1.00 0.00 C ATOM 65 C ALA A 5 -5.221 -20.458 3.047 1.00 0.00 C ATOM 66 O ALA A 5 -5.336 -19.269 3.275 1.00 0.00 O ATOM 67 CB ALA A 5 -5.435 -21.995 5.025 1.00 0.00 C ATOM 0 H ALA A 5 -6.206 -23.595 3.377 1.00 0.00 H new ATOM 0 HA ALA A 5 -7.059 -21.018 3.944 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -5.303 -21.162 5.715 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -6.065 -22.754 5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.463 -22.426 4.787 1.00 0.00 H new ATOM 73 N THR A 6 -4.352 -20.905 2.185 1.00 0.00 N ATOM 74 CA THR A 6 -3.470 -19.961 1.447 1.00 0.00 C ATOM 75 C THR A 6 -4.253 -19.320 0.301 1.00 0.00 C ATOM 76 O THR A 6 -4.187 -18.128 0.089 1.00 0.00 O ATOM 77 CB THR A 6 -2.323 -20.815 0.899 1.00 0.00 C ATOM 78 OG1 THR A 6 -1.432 -19.991 0.161 1.00 0.00 O ATOM 79 CG2 THR A 6 -2.886 -21.905 -0.014 1.00 0.00 C ATOM 0 H THR A 6 -4.214 -21.890 1.959 1.00 0.00 H new ATOM 0 HA THR A 6 -3.100 -19.157 2.083 1.00 0.00 H new ATOM 0 HB THR A 6 -1.788 -21.279 1.728 1.00 0.00 H new ATOM 0 HG1 THR A 6 -0.697 -20.536 -0.189 1.00 0.00 H new ATOM 0 HG21 THR A 6 -2.068 -22.512 -0.403 1.00 0.00 H new ATOM 0 HG22 THR A 6 -3.569 -22.537 0.553 1.00 0.00 H new ATOM 0 HG23 THR A 6 -3.422 -21.444 -0.843 1.00 0.00 H new ATOM 87 N CYS A 7 -5.001 -20.104 -0.433 1.00 0.00 N ATOM 88 CA CYS A 7 -5.794 -19.533 -1.559 1.00 0.00 C ATOM 89 C CYS A 7 -6.790 -18.520 -1.007 1.00 0.00 C ATOM 90 O CYS A 7 -6.909 -17.415 -1.500 1.00 0.00 O ATOM 91 CB CYS A 7 -6.517 -20.726 -2.187 1.00 0.00 C ATOM 92 SG CYS A 7 -7.456 -20.182 -3.641 1.00 0.00 S ATOM 0 H CYS A 7 -5.096 -21.111 -0.301 1.00 0.00 H new ATOM 0 HA CYS A 7 -5.177 -19.016 -2.293 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -5.795 -21.490 -2.475 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.189 -21.180 -1.458 1.00 0.00 H new ATOM 97 N ALA A 8 -7.489 -18.881 0.030 1.00 0.00 N ATOM 98 CA ALA A 8 -8.457 -17.926 0.633 1.00 0.00 C ATOM 99 C ALA A 8 -7.712 -16.653 1.023 1.00 0.00 C ATOM 100 O ALA A 8 -8.118 -15.558 0.690 1.00 0.00 O ATOM 101 CB ALA A 8 -9.007 -18.639 1.867 1.00 0.00 C ATOM 0 H ALA A 8 -7.433 -19.792 0.485 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.261 -17.643 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.730 -17.995 2.367 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -9.494 -19.566 1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -8.189 -18.866 2.551 1.00 0.00 H new ATOM 107 N THR A 9 -6.607 -16.791 1.706 1.00 0.00 N ATOM 108 CA THR A 9 -5.824 -15.586 2.088 1.00 0.00 C ATOM 109 C THR A 9 -5.339 -14.896 0.814 1.00 0.00 C ATOM 110 O THR A 9 -5.389 -13.689 0.689 1.00 0.00 O ATOM 111 CB THR A 9 -4.638 -16.107 2.903 1.00 0.00 C ATOM 112 OG1 THR A 9 -5.105 -17.010 3.895 1.00 0.00 O ATOM 113 CG2 THR A 9 -3.926 -14.930 3.573 1.00 0.00 C ATOM 0 H THR A 9 -6.216 -17.682 2.013 1.00 0.00 H new ATOM 0 HA THR A 9 -6.407 -14.866 2.663 1.00 0.00 H new ATOM 0 HB THR A 9 -3.941 -16.624 2.244 1.00 0.00 H new ATOM 0 HG1 THR A 9 -4.893 -17.929 3.627 1.00 0.00 H new ATOM 0 HG21 THR A 9 -3.081 -15.299 4.154 1.00 0.00 H new ATOM 0 HG22 THR A 9 -3.568 -14.239 2.810 1.00 0.00 H new ATOM 0 HG23 THR A 9 -4.622 -14.412 4.233 1.00 0.00 H new ATOM 121 N GLN A 10 -4.879 -15.662 -0.139 1.00 0.00 N ATOM 122 CA GLN A 10 -4.403 -15.060 -1.412 1.00 0.00 C ATOM 123 C GLN A 10 -5.585 -14.423 -2.161 1.00 0.00 C ATOM 124 O GLN A 10 -5.415 -13.541 -2.981 1.00 0.00 O ATOM 125 CB GLN A 10 -3.787 -16.237 -2.196 1.00 0.00 C ATOM 126 CG GLN A 10 -4.280 -16.257 -3.650 1.00 0.00 C ATOM 127 CD GLN A 10 -3.614 -17.415 -4.398 1.00 0.00 C ATOM 128 OE1 GLN A 10 -3.551 -17.409 -5.611 1.00 0.00 O ATOM 129 NE2 GLN A 10 -3.114 -18.416 -3.724 1.00 0.00 N ATOM 0 H GLN A 10 -4.813 -16.679 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 10 -3.674 -14.263 -1.265 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -2.700 -16.159 -2.179 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -4.046 -17.177 -1.709 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -5.364 -16.368 -3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -4.045 -15.311 -4.138 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -3.166 -18.422 -2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -2.671 -19.192 -4.216 1.00 0.00 H new ATOM 138 N ARG A 11 -6.786 -14.833 -1.854 1.00 0.00 N ATOM 139 CA ARG A 11 -7.966 -14.227 -2.525 1.00 0.00 C ATOM 140 C ARG A 11 -8.377 -13.054 -1.675 1.00 0.00 C ATOM 141 O ARG A 11 -8.530 -11.939 -2.132 1.00 0.00 O ATOM 142 CB ARG A 11 -9.038 -15.320 -2.527 1.00 0.00 C ATOM 143 CG ARG A 11 -9.982 -15.116 -3.716 1.00 0.00 C ATOM 144 CD ARG A 11 -9.405 -15.809 -4.954 1.00 0.00 C ATOM 145 NE ARG A 11 -9.932 -17.200 -4.900 1.00 0.00 N ATOM 146 CZ ARG A 11 -9.791 -17.992 -5.929 1.00 0.00 C ATOM 147 NH1 ARG A 11 -8.632 -18.540 -6.176 1.00 0.00 N ATOM 148 NH2 ARG A 11 -10.808 -18.240 -6.710 1.00 0.00 N ATOM 0 H ARG A 11 -6.998 -15.559 -1.170 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.786 -13.883 -3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.569 -16.302 -2.587 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.601 -15.292 -1.594 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.967 -15.522 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -10.114 -14.052 -3.911 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.716 -15.305 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.315 -15.799 -4.939 1.00 0.00 H new ATOM 0 HE ARG A 11 -10.403 -17.535 -4.060 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.837 -18.350 -5.566 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.521 -19.159 -6.979 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.715 -17.815 -6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.695 -18.859 -7.513 1.00 0.00 H new ATOM 162 N LEU A 12 -8.484 -13.309 -0.413 1.00 0.00 N ATOM 163 CA LEU A 12 -8.807 -12.238 0.542 1.00 0.00 C ATOM 164 C LEU A 12 -7.735 -11.154 0.448 1.00 0.00 C ATOM 165 O LEU A 12 -7.999 -9.982 0.628 1.00 0.00 O ATOM 166 CB LEU A 12 -8.753 -12.946 1.887 1.00 0.00 C ATOM 167 CG LEU A 12 -10.149 -13.440 2.268 1.00 0.00 C ATOM 168 CD1 LEU A 12 -10.067 -14.892 2.736 1.00 0.00 C ATOM 169 CD2 LEU A 12 -10.702 -12.569 3.398 1.00 0.00 C ATOM 0 H LEU A 12 -8.359 -14.232 0.003 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.767 -11.752 0.368 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.060 -13.786 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.376 -12.266 2.651 1.00 0.00 H new ATOM 0 HG LEU A 12 -10.808 -13.377 1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.062 -15.244 3.007 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -9.670 -15.512 1.932 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -9.410 -14.958 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -11.697 -12.918 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -10.043 -12.634 4.264 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -10.760 -11.533 3.064 1.00 0.00 H new ATOM 181 N ALA A 13 -6.528 -11.543 0.145 1.00 0.00 N ATOM 182 CA ALA A 13 -5.433 -10.543 0.013 1.00 0.00 C ATOM 183 C ALA A 13 -5.625 -9.764 -1.287 1.00 0.00 C ATOM 184 O ALA A 13 -5.236 -8.619 -1.411 1.00 0.00 O ATOM 185 CB ALA A 13 -4.145 -11.359 -0.037 1.00 0.00 C ATOM 0 H ALA A 13 -6.253 -12.512 -0.017 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.416 -9.825 0.833 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.292 -10.687 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.047 -11.940 0.880 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -4.175 -12.034 -0.893 1.00 0.00 H new ATOM 191 N ASN A 14 -6.239 -10.388 -2.252 1.00 0.00 N ATOM 192 CA ASN A 14 -6.483 -9.709 -3.551 1.00 0.00 C ATOM 193 C ASN A 14 -7.345 -8.470 -3.333 1.00 0.00 C ATOM 194 O ASN A 14 -7.092 -7.422 -3.890 1.00 0.00 O ATOM 195 CB ASN A 14 -7.238 -10.737 -4.392 1.00 0.00 C ATOM 196 CG ASN A 14 -7.034 -10.434 -5.878 1.00 0.00 C ATOM 197 OD1 ASN A 14 -7.508 -9.433 -6.376 1.00 0.00 O ATOM 198 ND2 ASN A 14 -6.345 -11.263 -6.610 1.00 0.00 N ATOM 0 H ASN A 14 -6.584 -11.346 -2.195 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.561 -9.382 -4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.882 -11.741 -4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.300 -10.712 -4.148 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.204 -11.071 -7.602 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.947 -12.104 -6.191 1.00 0.00 H new ATOM 205 N PHE A 15 -8.363 -8.581 -2.524 1.00 0.00 N ATOM 206 CA PHE A 15 -9.237 -7.401 -2.274 1.00 0.00 C ATOM 207 C PHE A 15 -8.668 -6.594 -1.113 1.00 0.00 C ATOM 208 O PHE A 15 -9.019 -5.448 -0.909 1.00 0.00 O ATOM 209 CB PHE A 15 -10.617 -7.959 -1.890 1.00 0.00 C ATOM 210 CG PHE A 15 -10.845 -9.304 -2.538 1.00 0.00 C ATOM 211 CD1 PHE A 15 -10.533 -9.494 -3.888 1.00 0.00 C ATOM 212 CD2 PHE A 15 -11.360 -10.360 -1.781 1.00 0.00 C ATOM 213 CE1 PHE A 15 -10.737 -10.744 -4.481 1.00 0.00 C ATOM 214 CE2 PHE A 15 -11.564 -11.610 -2.372 1.00 0.00 C ATOM 215 CZ PHE A 15 -11.253 -11.803 -3.723 1.00 0.00 C ATOM 0 H PHE A 15 -8.626 -9.433 -2.028 1.00 0.00 H new ATOM 0 HA PHE A 15 -9.302 -6.753 -3.148 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -10.688 -8.054 -0.807 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -11.396 -7.263 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -10.135 -8.677 -4.472 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -11.600 -10.210 -0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -10.497 -10.893 -5.523 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -11.961 -12.426 -1.787 1.00 0.00 H new ATOM 0 HZ PHE A 15 -11.411 -12.768 -4.181 1.00 0.00 H new ATOM 225 N LEU A 16 -7.789 -7.183 -0.348 1.00 0.00 N ATOM 226 CA LEU A 16 -7.204 -6.437 0.804 1.00 0.00 C ATOM 227 C LEU A 16 -6.267 -5.343 0.291 1.00 0.00 C ATOM 228 O LEU A 16 -6.357 -4.199 0.689 1.00 0.00 O ATOM 229 CB LEU A 16 -6.430 -7.483 1.599 1.00 0.00 C ATOM 230 CG LEU A 16 -7.148 -7.755 2.921 1.00 0.00 C ATOM 231 CD1 LEU A 16 -6.482 -8.933 3.632 1.00 0.00 C ATOM 232 CD2 LEU A 16 -7.068 -6.511 3.809 1.00 0.00 C ATOM 0 H LEU A 16 -7.453 -8.139 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.962 -5.947 1.415 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.346 -8.404 1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -5.416 -7.133 1.790 1.00 0.00 H new ATOM 0 HG LEU A 16 -8.193 -7.995 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -6.995 -9.126 4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.539 -9.819 3.000 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -5.437 -8.695 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -7.580 -6.704 4.752 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.023 -6.271 4.006 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.544 -5.671 3.303 1.00 0.00 H new ATOM 244 N VAL A 17 -5.377 -5.685 -0.596 1.00 0.00 N ATOM 245 CA VAL A 17 -4.441 -4.664 -1.142 1.00 0.00 C ATOM 246 C VAL A 17 -5.168 -3.787 -2.168 1.00 0.00 C ATOM 247 O VAL A 17 -4.927 -2.600 -2.269 1.00 0.00 O ATOM 248 CB VAL A 17 -3.332 -5.471 -1.819 1.00 0.00 C ATOM 249 CG1 VAL A 17 -2.515 -4.556 -2.734 1.00 0.00 C ATOM 250 CG2 VAL A 17 -2.416 -6.074 -0.752 1.00 0.00 C ATOM 0 H VAL A 17 -5.257 -6.627 -0.967 1.00 0.00 H new ATOM 0 HA VAL A 17 -4.050 -4.000 -0.371 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.777 -6.270 -2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.726 -5.133 -3.215 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -3.166 -4.127 -3.495 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -2.070 -3.755 -2.144 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -1.625 -6.649 -1.234 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.973 -5.274 -0.159 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.996 -6.729 -0.102 1.00 0.00 H new ATOM 260 N HIS A 18 -6.053 -4.370 -2.931 1.00 0.00 N ATOM 261 CA HIS A 18 -6.797 -3.584 -3.960 1.00 0.00 C ATOM 262 C HIS A 18 -7.921 -2.761 -3.325 1.00 0.00 C ATOM 263 O HIS A 18 -8.010 -1.564 -3.508 1.00 0.00 O ATOM 264 CB HIS A 18 -7.403 -4.632 -4.892 1.00 0.00 C ATOM 265 CG HIS A 18 -6.384 -5.060 -5.910 1.00 0.00 C ATOM 266 ND1 HIS A 18 -5.676 -4.142 -6.695 1.00 0.00 N ATOM 267 CD2 HIS A 18 -5.940 -6.305 -6.290 1.00 0.00 C ATOM 268 CE1 HIS A 18 -4.851 -4.845 -7.501 1.00 0.00 C ATOM 269 NE2 HIS A 18 -4.989 -6.144 -7.278 1.00 0.00 N ATOM 0 H HIS A 18 -6.294 -5.360 -2.887 1.00 0.00 H new ATOM 0 HA HIS A 18 -6.139 -2.883 -4.473 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -7.738 -5.494 -4.315 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -8.280 -4.223 -5.393 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -6.278 -7.248 -5.885 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -4.176 -4.411 -8.223 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -4.483 -6.892 -7.752 1.00 0.00 H new ATOM 277 N SER A 19 -8.803 -3.404 -2.612 1.00 0.00 N ATOM 278 CA SER A 19 -9.948 -2.663 -2.003 1.00 0.00 C ATOM 279 C SER A 19 -9.528 -1.849 -0.773 1.00 0.00 C ATOM 280 O SER A 19 -10.044 -0.776 -0.530 1.00 0.00 O ATOM 281 CB SER A 19 -10.949 -3.747 -1.605 1.00 0.00 C ATOM 282 OG SER A 19 -10.843 -3.993 -0.209 1.00 0.00 O ATOM 0 H SER A 19 -8.783 -4.406 -2.424 1.00 0.00 H new ATOM 0 HA SER A 19 -10.361 -1.939 -2.705 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.962 -3.432 -1.855 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.753 -4.662 -2.163 1.00 0.00 H new ATOM 0 HG SER A 19 -10.084 -4.589 -0.039 1.00 0.00 H new ATOM 288 N SER A 20 -8.630 -2.350 0.022 1.00 0.00 N ATOM 289 CA SER A 20 -8.226 -1.591 1.244 1.00 0.00 C ATOM 290 C SER A 20 -7.016 -0.683 0.996 1.00 0.00 C ATOM 291 O SER A 20 -6.948 0.421 1.498 1.00 0.00 O ATOM 292 CB SER A 20 -7.883 -2.660 2.280 1.00 0.00 C ATOM 293 OG SER A 20 -8.243 -2.193 3.573 1.00 0.00 O ATOM 0 H SER A 20 -8.159 -3.244 -0.115 1.00 0.00 H new ATOM 0 HA SER A 20 -9.027 -0.928 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 20 -8.413 -3.585 2.054 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.817 -2.887 2.246 1.00 0.00 H new ATOM 0 HG SER A 20 -8.026 -2.877 4.240 1.00 0.00 H new ATOM 299 N ASN A 21 -6.045 -1.148 0.267 1.00 0.00 N ATOM 300 CA ASN A 21 -4.824 -0.312 0.041 1.00 0.00 C ATOM 301 C ASN A 21 -4.922 0.555 -1.218 1.00 0.00 C ATOM 302 O ASN A 21 -4.456 1.678 -1.241 1.00 0.00 O ATOM 303 CB ASN A 21 -3.688 -1.323 -0.104 1.00 0.00 C ATOM 304 CG ASN A 21 -2.438 -0.790 0.599 1.00 0.00 C ATOM 305 OD1 ASN A 21 -1.827 -1.484 1.388 1.00 0.00 O ATOM 306 ND2 ASN A 21 -2.029 0.425 0.348 1.00 0.00 N ATOM 0 H ASN A 21 -6.037 -2.064 -0.182 1.00 0.00 H new ATOM 0 HA ASN A 21 -4.678 0.390 0.862 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.981 -2.280 0.328 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -3.477 -1.501 -1.159 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -1.198 0.790 0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -2.540 1.009 -0.314 1.00 0.00 H new ATOM 313 N ASN A 22 -5.487 0.047 -2.273 1.00 0.00 N ATOM 314 CA ASN A 22 -5.562 0.852 -3.532 1.00 0.00 C ATOM 315 C ASN A 22 -6.675 1.897 -3.468 1.00 0.00 C ATOM 316 O ASN A 22 -6.508 3.016 -3.905 1.00 0.00 O ATOM 317 CB ASN A 22 -5.840 -0.161 -4.641 1.00 0.00 C ATOM 318 CG ASN A 22 -4.589 -0.316 -5.509 1.00 0.00 C ATOM 319 OD1 ASN A 22 -4.569 0.107 -6.648 1.00 0.00 O ATOM 320 ND2 ASN A 22 -3.537 -0.906 -5.012 1.00 0.00 N ATOM 0 H ASN A 22 -5.900 -0.884 -2.324 1.00 0.00 H new ATOM 0 HA ASN A 22 -4.639 1.407 -3.701 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -6.119 -1.122 -4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.681 0.171 -5.250 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.696 -1.013 -5.580 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -3.555 -1.261 -4.056 1.00 0.00 H new ATOM 327 N PHE A 23 -7.805 1.545 -2.936 1.00 0.00 N ATOM 328 CA PHE A 23 -8.925 2.525 -2.858 1.00 0.00 C ATOM 329 C PHE A 23 -8.487 3.751 -2.041 1.00 0.00 C ATOM 330 O PHE A 23 -8.759 4.880 -2.400 1.00 0.00 O ATOM 331 CB PHE A 23 -10.065 1.747 -2.176 1.00 0.00 C ATOM 332 CG PHE A 23 -10.670 2.549 -1.043 1.00 0.00 C ATOM 333 CD1 PHE A 23 -10.100 2.490 0.235 1.00 0.00 C ATOM 334 CD2 PHE A 23 -11.789 3.353 -1.275 1.00 0.00 C ATOM 335 CE1 PHE A 23 -10.653 3.237 1.282 1.00 0.00 C ATOM 336 CE2 PHE A 23 -12.344 4.100 -0.229 1.00 0.00 C ATOM 337 CZ PHE A 23 -11.775 4.042 1.050 1.00 0.00 C ATOM 0 H PHE A 23 -8.006 0.622 -2.551 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.237 2.910 -3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -10.836 1.508 -2.909 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -9.685 0.800 -1.793 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -9.235 1.869 0.413 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -12.226 3.398 -2.262 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.215 3.192 2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -13.210 4.720 -0.408 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.202 4.618 1.857 1.00 0.00 H new ATOM 347 N GLY A 24 -7.815 3.531 -0.947 1.00 0.00 N ATOM 348 CA GLY A 24 -7.365 4.678 -0.108 1.00 0.00 C ATOM 349 C GLY A 24 -6.049 5.226 -0.658 1.00 0.00 C ATOM 350 O GLY A 24 -5.616 6.302 -0.298 1.00 0.00 O ATOM 0 H GLY A 24 -7.557 2.608 -0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.124 5.460 -0.105 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -7.234 4.357 0.925 1.00 0.00 H new ATOM 354 N ALA A 25 -5.409 4.494 -1.525 1.00 0.00 N ATOM 355 CA ALA A 25 -4.115 4.970 -2.095 1.00 0.00 C ATOM 356 C ALA A 25 -4.352 6.115 -3.082 1.00 0.00 C ATOM 357 O ALA A 25 -3.506 6.966 -3.271 1.00 0.00 O ATOM 358 CB ALA A 25 -3.532 3.753 -2.813 1.00 0.00 C ATOM 0 H ALA A 25 -5.725 3.586 -1.865 1.00 0.00 H new ATOM 0 HA ALA A 25 -3.444 5.354 -1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -2.575 4.019 -3.262 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.384 2.944 -2.097 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.220 3.426 -3.593 1.00 0.00 H new ATOM 364 N ILE A 26 -5.497 6.152 -3.709 1.00 0.00 N ATOM 365 CA ILE A 26 -5.778 7.253 -4.675 1.00 0.00 C ATOM 366 C ILE A 26 -6.454 8.368 -3.909 1.00 0.00 C ATOM 367 O ILE A 26 -6.056 9.515 -3.958 1.00 0.00 O ATOM 368 CB ILE A 26 -6.699 6.639 -5.731 1.00 0.00 C ATOM 369 CG1 ILE A 26 -6.254 5.198 -6.037 1.00 0.00 C ATOM 370 CG2 ILE A 26 -6.625 7.475 -7.009 1.00 0.00 C ATOM 371 CD1 ILE A 26 -4.723 5.090 -5.964 1.00 0.00 C ATOM 0 H ILE A 26 -6.247 5.470 -3.595 1.00 0.00 H new ATOM 0 HA ILE A 26 -4.891 7.668 -5.153 1.00 0.00 H new ATOM 0 HB ILE A 26 -7.722 6.626 -5.356 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -6.709 4.510 -5.325 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -6.600 4.905 -7.028 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -7.280 7.042 -7.765 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -6.943 8.495 -6.795 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -5.600 7.484 -7.379 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -4.420 4.066 -6.182 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -4.275 5.764 -6.694 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -4.386 5.363 -4.964 1.00 0.00 H new ATOM 383 N LEU A 27 -7.433 8.013 -3.137 1.00 0.00 N ATOM 384 CA LEU A 27 -8.098 9.014 -2.283 1.00 0.00 C ATOM 385 C LEU A 27 -7.010 9.703 -1.458 1.00 0.00 C ATOM 386 O LEU A 27 -7.165 10.807 -0.976 1.00 0.00 O ATOM 387 CB LEU A 27 -9.014 8.171 -1.403 1.00 0.00 C ATOM 388 CG LEU A 27 -10.386 8.041 -2.066 1.00 0.00 C ATOM 389 CD1 LEU A 27 -11.125 9.377 -1.975 1.00 0.00 C ATOM 390 CD2 LEU A 27 -10.211 7.659 -3.536 1.00 0.00 C ATOM 0 H LEU A 27 -7.802 7.065 -3.063 1.00 0.00 H new ATOM 0 HA LEU A 27 -8.653 9.787 -2.814 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.579 7.184 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.116 8.632 -0.420 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.962 7.269 -1.556 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -12.103 9.285 -2.447 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -11.252 9.652 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.547 10.148 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -11.190 7.567 -4.007 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.634 8.430 -4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.684 6.707 -3.604 1.00 0.00 H new ATOM 402 N SER A 28 -5.894 9.031 -1.313 1.00 0.00 N ATOM 403 CA SER A 28 -4.747 9.585 -0.544 1.00 0.00 C ATOM 404 C SER A 28 -4.058 10.705 -1.330 1.00 0.00 C ATOM 405 O SER A 28 -3.085 11.279 -0.883 1.00 0.00 O ATOM 406 CB SER A 28 -3.798 8.395 -0.399 1.00 0.00 C ATOM 407 OG SER A 28 -4.107 7.689 0.795 1.00 0.00 O ATOM 0 H SER A 28 -5.731 8.104 -1.705 1.00 0.00 H new ATOM 0 HA SER A 28 -5.053 10.013 0.411 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.892 7.734 -1.260 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.765 8.741 -0.373 1.00 0.00 H new ATOM 0 HG SER A 28 -4.561 6.850 0.571 1.00 0.00 H new ATOM 413 N SER A 29 -4.540 11.010 -2.503 1.00 0.00 N ATOM 414 CA SER A 29 -3.894 12.079 -3.315 1.00 0.00 C ATOM 415 C SER A 29 -4.952 12.975 -3.959 1.00 0.00 C ATOM 416 O SER A 29 -4.881 13.298 -5.129 1.00 0.00 O ATOM 417 CB SER A 29 -3.098 11.326 -4.378 1.00 0.00 C ATOM 418 OG SER A 29 -2.422 10.233 -3.769 1.00 0.00 O ATOM 0 H SER A 29 -5.351 10.566 -2.934 1.00 0.00 H new ATOM 0 HA SER A 29 -3.261 12.733 -2.715 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.765 10.966 -5.161 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.380 11.994 -4.853 1.00 0.00 H new ATOM 0 HG SER A 29 -1.911 9.745 -4.448 1.00 0.00 H new ATOM 424 N THR A 30 -5.933 13.376 -3.202 1.00 0.00 N ATOM 425 CA THR A 30 -7.001 14.250 -3.766 1.00 0.00 C ATOM 426 C THR A 30 -7.252 15.445 -2.842 1.00 0.00 C ATOM 427 O THR A 30 -6.839 16.554 -3.119 1.00 0.00 O ATOM 428 CB THR A 30 -8.232 13.347 -3.845 1.00 0.00 C ATOM 429 OG1 THR A 30 -8.724 13.096 -2.536 1.00 0.00 O ATOM 430 CG2 THR A 30 -7.844 12.025 -4.508 1.00 0.00 C ATOM 0 H THR A 30 -6.043 13.137 -2.216 1.00 0.00 H new ATOM 0 HA THR A 30 -6.737 14.665 -4.739 1.00 0.00 H new ATOM 0 HB THR A 30 -9.008 13.838 -4.432 1.00 0.00 H new ATOM 0 HG1 THR A 30 -8.178 12.404 -2.108 1.00 0.00 H new ATOM 0 HG21 THR A 30 -8.719 11.377 -4.567 1.00 0.00 H new ATOM 0 HG22 THR A 30 -7.467 12.218 -5.512 1.00 0.00 H new ATOM 0 HG23 THR A 30 -7.069 11.536 -3.918 1.00 0.00 H new ATOM 438 N ASN A 31 -7.926 15.230 -1.750 1.00 0.00 N ATOM 439 CA ASN A 31 -8.206 16.353 -0.809 1.00 0.00 C ATOM 440 C ASN A 31 -7.047 16.521 0.183 1.00 0.00 C ATOM 441 O ASN A 31 -6.988 17.480 0.928 1.00 0.00 O ATOM 442 CB ASN A 31 -9.503 15.949 -0.092 1.00 0.00 C ATOM 443 CG ASN A 31 -9.190 15.038 1.101 1.00 0.00 C ATOM 444 OD1 ASN A 31 -9.223 15.471 2.235 1.00 0.00 O ATOM 445 ND2 ASN A 31 -8.892 13.785 0.890 1.00 0.00 N ATOM 0 H ASN A 31 -8.297 14.324 -1.465 1.00 0.00 H new ATOM 0 HA ASN A 31 -8.310 17.311 -1.319 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -10.030 16.840 0.250 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.166 15.434 -0.787 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -8.687 13.170 1.677 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -8.864 13.421 -0.062 1.00 0.00 H new ATOM 452 N VAL A 32 -6.128 15.596 0.195 1.00 0.00 N ATOM 453 CA VAL A 32 -4.973 15.699 1.133 1.00 0.00 C ATOM 454 C VAL A 32 -3.659 15.538 0.364 1.00 0.00 C ATOM 455 O VAL A 32 -2.964 16.499 0.096 1.00 0.00 O ATOM 456 CB VAL A 32 -5.166 14.551 2.123 1.00 0.00 C ATOM 457 CG1 VAL A 32 -3.913 14.404 2.989 1.00 0.00 C ATOM 458 CG2 VAL A 32 -6.371 14.851 3.019 1.00 0.00 C ATOM 0 H VAL A 32 -6.126 14.771 -0.405 1.00 0.00 H new ATOM 0 HA VAL A 32 -4.929 16.664 1.637 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.338 13.625 1.575 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -4.052 13.585 3.694 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -3.054 14.193 2.353 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -3.739 15.330 3.538 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.511 14.034 3.726 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -6.196 15.778 3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.265 14.956 2.404 1.00 0.00 H new ATOM 468 N GLY A 33 -3.319 14.330 0.000 1.00 0.00 N ATOM 469 CA GLY A 33 -2.056 14.100 -0.759 1.00 0.00 C ATOM 470 C GLY A 33 -0.936 14.968 -0.183 1.00 0.00 C ATOM 471 O GLY A 33 -0.114 15.497 -0.904 1.00 0.00 O ATOM 0 H GLY A 33 -3.864 13.490 0.197 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -1.776 13.048 -0.706 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.206 14.337 -1.812 1.00 0.00 H new ATOM 475 N SER A 34 -0.894 15.118 1.111 1.00 0.00 N ATOM 476 CA SER A 34 0.177 15.952 1.728 1.00 0.00 C ATOM 477 C SER A 34 0.039 15.950 3.251 1.00 0.00 C ATOM 478 O SER A 34 -0.728 15.194 3.816 1.00 0.00 O ATOM 479 CB SER A 34 -0.044 17.359 1.171 1.00 0.00 C ATOM 480 OG SER A 34 -0.642 18.175 2.172 1.00 0.00 O ATOM 0 H SER A 34 -1.553 14.700 1.768 1.00 0.00 H new ATOM 0 HA SER A 34 1.174 15.576 1.500 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.906 17.790 0.854 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.684 17.317 0.290 1.00 0.00 H new ATOM 0 HG SER A 34 -0.783 19.078 1.817 1.00 0.00 H new ATOM 486 N ASN A 35 0.775 16.792 3.921 1.00 0.00 N ATOM 487 CA ASN A 35 0.688 16.840 5.407 1.00 0.00 C ATOM 488 C ASN A 35 1.149 15.511 6.006 1.00 0.00 C ATOM 489 O ASN A 35 0.452 14.517 5.948 1.00 0.00 O ATOM 490 CB ASN A 35 -0.791 17.079 5.709 1.00 0.00 C ATOM 491 CG ASN A 35 -0.920 18.067 6.870 1.00 0.00 C ATOM 492 OD1 ASN A 35 0.062 18.419 7.495 1.00 0.00 O ATOM 493 ND2 ASN A 35 -2.096 18.532 7.186 1.00 0.00 N ATOM 0 H ASN A 35 1.434 17.450 3.503 1.00 0.00 H new ATOM 0 HA ASN A 35 1.322 17.617 5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.295 17.471 4.826 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.278 16.138 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -2.193 19.192 7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.919 18.236 6.661 1.00 0.00 H new ATOM 500 N THR A 36 2.315 15.487 6.584 1.00 0.00 N ATOM 501 CA THR A 36 2.818 14.223 7.192 1.00 0.00 C ATOM 502 C THR A 36 3.212 14.466 8.651 1.00 0.00 C ATOM 503 O THR A 36 4.373 14.617 8.974 1.00 0.00 O ATOM 504 CB THR A 36 4.042 13.836 6.360 1.00 0.00 C ATOM 505 OG1 THR A 36 4.621 12.654 6.898 1.00 0.00 O ATOM 506 CG2 THR A 36 5.067 14.969 6.393 1.00 0.00 C ATOM 0 H THR A 36 2.943 16.287 6.663 1.00 0.00 H new ATOM 0 HA THR A 36 2.065 13.435 7.191 1.00 0.00 H new ATOM 0 HB THR A 36 3.738 13.658 5.328 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.405 12.402 6.366 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.937 14.690 5.799 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.622 15.874 5.981 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.374 15.152 7.423 1.00 0.00 H new ATOM 514 N TYR A 37 2.248 14.514 9.530 1.00 0.00 N ATOM 515 CA TYR A 37 2.558 14.754 10.970 1.00 0.00 C ATOM 516 C TYR A 37 3.797 13.957 11.389 1.00 0.00 C ATOM 517 O TYR A 37 4.890 14.478 11.235 1.00 0.00 O ATOM 518 CB TYR A 37 1.320 14.287 11.758 1.00 0.00 C ATOM 519 CG TYR A 37 0.636 13.124 11.064 1.00 0.00 C ATOM 520 CD1 TYR A 37 1.102 11.816 11.257 1.00 0.00 C ATOM 521 CD2 TYR A 37 -0.468 13.355 10.232 1.00 0.00 C ATOM 522 CE1 TYR A 37 0.465 10.744 10.619 1.00 0.00 C ATOM 523 CE2 TYR A 37 -1.103 12.282 9.593 1.00 0.00 C ATOM 524 CZ TYR A 37 -0.636 10.977 9.787 1.00 0.00 C ATOM 525 OH TYR A 37 -1.262 9.921 9.159 1.00 0.00 O ATOM 526 OXT TYR A 37 3.634 12.844 11.857 1.00 0.00 O ATOM 0 H TYR A 37 1.258 14.397 9.314 1.00 0.00 H new ATOM 0 HA TYR A 37 2.774 15.805 11.162 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.616 13.990 12.764 1.00 0.00 H new ATOM 0 HB3 TYR A 37 0.619 15.115 11.863 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.952 11.635 11.898 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.830 14.362 10.083 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.824 9.737 10.769 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.953 12.462 8.951 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.008 10.257 8.620 1.00 0.00 H new TER 536 TYR A 37