USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 437 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 9 ASN :FLIP amide:sc= 0.814 F(o=-1.8,f=1.6) USER MOD Set 1.2: A 56 THR OG1 : rot -73:sc= 0.748 USER MOD Set 2.1: A 50 THR OG1 : rot 90:sc= 0.134 USER MOD Set 2.2: A 52 THR OG1 : rot 180:sc= 0.113 USER MOD Set 3.1: A 45 THR OG1 : rot -2:sc= -0.194 USER MOD Set 3.2: A 54 THR OG1 : rot 146:sc= 0.591 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 146:sc= -0.0839 (180deg=-1.12) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.00994 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 40:sc= -0.147 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 23:sc= 0.684 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 ASN : amide:sc= 0.0545 X(o=0.055,f=-0.38) USER MOD Single : A 38 ASN : amide:sc= -0.87 K(o=-0.87,f=-4.5!) USER MOD Single : A 46 TYR OH : rot -110:sc= -1.08 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.991 -15.124 8.127 1.00 0.00 N ATOM 2 CA MET A 1 -2.274 -13.817 8.191 1.00 0.00 C ATOM 3 C MET A 1 -2.360 -13.099 6.839 1.00 0.00 C ATOM 4 O MET A 1 -2.299 -13.719 5.794 1.00 0.00 O ATOM 5 CB MET A 1 -0.819 -14.165 8.530 1.00 0.00 C ATOM 6 CG MET A 1 -0.238 -15.098 7.460 1.00 0.00 C ATOM 7 SD MET A 1 1.513 -15.397 7.808 1.00 0.00 S ATOM 8 CE MET A 1 1.469 -17.201 7.675 1.00 0.00 C ATOM 0 H1 MET A 1 -2.503 -15.818 8.728 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.967 -15.001 8.463 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.003 -15.465 7.145 1.00 0.00 H new ATOM 0 HA MET A 1 -2.709 -13.148 8.933 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.224 -13.254 8.591 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.770 -14.645 9.508 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.784 -16.041 7.449 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.353 -14.652 6.472 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.465 -17.604 7.857 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.775 -17.603 8.413 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.140 -17.484 6.675 1.00 0.00 H new ATOM 20 N THR A 2 -2.504 -11.799 6.857 1.00 0.00 N ATOM 21 CA THR A 2 -2.599 -11.034 5.580 1.00 0.00 C ATOM 22 C THR A 2 -1.685 -9.804 5.625 1.00 0.00 C ATOM 23 O THR A 2 -2.135 -8.681 5.489 1.00 0.00 O ATOM 24 CB THR A 2 -4.067 -10.614 5.483 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.890 -11.772 5.509 1.00 0.00 O ATOM 26 CG2 THR A 2 -4.296 -9.851 4.176 1.00 0.00 C ATOM 0 H THR A 2 -2.560 -11.234 7.704 1.00 0.00 H new ATOM 0 HA THR A 2 -2.285 -11.625 4.719 1.00 0.00 H new ATOM 0 HB THR A 2 -4.319 -9.969 6.325 1.00 0.00 H new ATOM 0 HG1 THR A 2 -5.831 -11.506 5.449 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.342 -9.552 4.108 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.663 -8.964 4.157 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.046 -10.493 3.331 1.00 0.00 H new ATOM 34 N THR A 3 -0.407 -10.010 5.812 1.00 0.00 N ATOM 35 CA THR A 3 0.541 -8.856 5.861 1.00 0.00 C ATOM 36 C THR A 3 0.820 -8.346 4.446 1.00 0.00 C ATOM 37 O THR A 3 1.739 -8.796 3.787 1.00 0.00 O ATOM 38 CB THR A 3 1.819 -9.411 6.491 1.00 0.00 C ATOM 39 OG1 THR A 3 1.482 -10.236 7.598 1.00 0.00 O ATOM 40 CG2 THR A 3 2.701 -8.253 6.964 1.00 0.00 C ATOM 0 H THR A 3 0.022 -10.928 5.933 1.00 0.00 H new ATOM 0 HA THR A 3 0.140 -8.018 6.431 1.00 0.00 H new ATOM 0 HB THR A 3 2.362 -10.000 5.752 1.00 0.00 H new ATOM 0 HG1 THR A 3 2.301 -10.593 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.612 -8.649 7.413 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.960 -7.622 6.114 1.00 0.00 H new ATOM 0 HG23 THR A 3 2.160 -7.662 7.703 1.00 0.00 H new ATOM 48 N PHE A 4 0.034 -7.411 3.978 1.00 0.00 N ATOM 49 CA PHE A 4 0.249 -6.865 2.604 1.00 0.00 C ATOM 50 C PHE A 4 1.474 -5.949 2.592 1.00 0.00 C ATOM 51 O PHE A 4 1.714 -5.206 3.525 1.00 0.00 O ATOM 52 CB PHE A 4 -1.023 -6.078 2.280 1.00 0.00 C ATOM 53 CG PHE A 4 -1.998 -6.983 1.569 1.00 0.00 C ATOM 54 CD1 PHE A 4 -1.771 -7.340 0.235 1.00 0.00 C ATOM 55 CD2 PHE A 4 -3.125 -7.471 2.240 1.00 0.00 C ATOM 56 CE1 PHE A 4 -2.667 -8.184 -0.428 1.00 0.00 C ATOM 57 CE2 PHE A 4 -4.022 -8.316 1.576 1.00 0.00 C ATOM 58 CZ PHE A 4 -3.793 -8.673 0.244 1.00 0.00 C ATOM 0 H PHE A 4 -0.748 -7.001 4.488 1.00 0.00 H new ATOM 0 HA PHE A 4 0.432 -7.649 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.469 -5.691 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -0.784 -5.218 1.654 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.902 -6.963 -0.283 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.303 -7.196 3.269 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -2.490 -8.458 -1.458 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.892 -8.693 2.093 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.485 -9.326 -0.267 1.00 0.00 H new ATOM 68 N LYS A 5 2.254 -6.007 1.543 1.00 0.00 N ATOM 69 CA LYS A 5 3.475 -5.153 1.461 1.00 0.00 C ATOM 70 C LYS A 5 3.241 -3.984 0.496 1.00 0.00 C ATOM 71 O LYS A 5 2.163 -3.829 -0.048 1.00 0.00 O ATOM 72 CB LYS A 5 4.560 -6.081 0.917 1.00 0.00 C ATOM 73 CG LYS A 5 5.074 -6.986 2.038 1.00 0.00 C ATOM 74 CD LYS A 5 5.574 -8.303 1.442 1.00 0.00 C ATOM 75 CE LYS A 5 4.405 -9.279 1.304 1.00 0.00 C ATOM 76 NZ LYS A 5 4.964 -10.444 0.564 1.00 0.00 N ATOM 0 H LYS A 5 2.096 -6.612 0.737 1.00 0.00 H new ATOM 0 HA LYS A 5 3.745 -4.721 2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.160 -6.686 0.103 1.00 0.00 H new ATOM 0 HB3 LYS A 5 5.381 -5.494 0.505 1.00 0.00 H new ATOM 0 HG2 LYS A 5 5.880 -6.490 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.278 -7.179 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.028 -8.124 0.468 1.00 0.00 H new ATOM 0 HD3 LYS A 5 6.346 -8.733 2.080 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.022 -9.578 2.280 1.00 0.00 H new ATOM 0 HE3 LYS A 5 3.575 -8.827 0.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 4.221 -11.159 0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 5.315 -10.130 -0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 5.748 -10.857 1.108 1.00 0.00 H new ATOM 90 N LEU A 6 4.243 -3.165 0.276 1.00 0.00 N ATOM 91 CA LEU A 6 4.072 -2.012 -0.659 1.00 0.00 C ATOM 92 C LEU A 6 5.427 -1.435 -1.063 1.00 0.00 C ATOM 93 O LEU A 6 6.162 -0.928 -0.235 1.00 0.00 O ATOM 94 CB LEU A 6 3.282 -0.957 0.132 1.00 0.00 C ATOM 95 CG LEU A 6 2.522 0.042 -0.789 1.00 0.00 C ATOM 96 CD1 LEU A 6 2.505 1.422 -0.120 1.00 0.00 C ATOM 97 CD2 LEU A 6 3.178 0.187 -2.178 1.00 0.00 C ATOM 0 H LEU A 6 5.166 -3.246 0.702 1.00 0.00 H new ATOM 0 HA LEU A 6 3.563 -2.317 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.567 -1.458 0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.966 -0.403 0.775 1.00 0.00 H new ATOM 0 HG LEU A 6 1.515 -0.351 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.975 2.129 -0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.000 1.353 0.844 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.528 1.766 0.030 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.607 0.895 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.199 0.550 -2.062 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.192 -0.782 -2.677 1.00 0.00 H new ATOM 109 N ILE A 7 5.746 -1.474 -2.329 1.00 0.00 N ATOM 110 CA ILE A 7 7.036 -0.892 -2.791 1.00 0.00 C ATOM 111 C ILE A 7 6.799 0.574 -3.136 1.00 0.00 C ATOM 112 O ILE A 7 6.006 0.889 -4.009 1.00 0.00 O ATOM 113 CB ILE A 7 7.434 -1.686 -4.038 1.00 0.00 C ATOM 114 CG1 ILE A 7 7.567 -3.171 -3.685 1.00 0.00 C ATOM 115 CG2 ILE A 7 8.777 -1.169 -4.558 1.00 0.00 C ATOM 116 CD1 ILE A 7 7.559 -4.003 -4.968 1.00 0.00 C ATOM 0 H ILE A 7 5.168 -1.884 -3.062 1.00 0.00 H new ATOM 0 HA ILE A 7 7.822 -0.946 -2.038 1.00 0.00 H new ATOM 0 HB ILE A 7 6.668 -1.564 -4.804 1.00 0.00 H new ATOM 0 HG12 ILE A 7 8.491 -3.343 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 7 6.746 -3.476 -3.036 1.00 0.00 H new ATOM 0 HG21 ILE A 7 9.064 -1.732 -5.446 1.00 0.00 H new ATOM 0 HG22 ILE A 7 8.687 -0.113 -4.811 1.00 0.00 H new ATOM 0 HG23 ILE A 7 9.538 -1.294 -3.788 1.00 0.00 H new ATOM 0 HD11 ILE A 7 7.654 -5.060 -4.717 1.00 0.00 H new ATOM 0 HD12 ILE A 7 6.623 -3.839 -5.502 1.00 0.00 H new ATOM 0 HD13 ILE A 7 8.395 -3.704 -5.601 1.00 0.00 H new ATOM 128 N ILE A 8 7.454 1.476 -2.453 1.00 0.00 N ATOM 129 CA ILE A 8 7.233 2.921 -2.748 1.00 0.00 C ATOM 130 C ILE A 8 8.159 3.363 -3.883 1.00 0.00 C ATOM 131 O ILE A 8 9.357 3.482 -3.701 1.00 0.00 O ATOM 132 CB ILE A 8 7.565 3.721 -1.475 1.00 0.00 C ATOM 133 CG1 ILE A 8 6.980 3.053 -0.195 1.00 0.00 C ATOM 134 CG2 ILE A 8 7.004 5.142 -1.646 1.00 0.00 C ATOM 135 CD1 ILE A 8 5.483 3.350 -0.023 1.00 0.00 C ATOM 0 H ILE A 8 8.125 1.277 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 8 6.200 3.092 -3.050 1.00 0.00 H new ATOM 0 HB ILE A 8 8.647 3.748 -1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.132 1.975 -0.247 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.523 3.409 0.680 1.00 0.00 H new ATOM 0 HG21 ILE A 8 7.226 5.730 -0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 8 7.463 5.612 -2.516 1.00 0.00 H new ATOM 0 HG23 ILE A 8 5.924 5.092 -1.788 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.117 2.865 0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.332 4.427 0.057 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.935 2.970 -0.885 1.00 0.00 H new ATOM 147 N ASN A 9 7.617 3.605 -5.047 1.00 0.00 N ATOM 148 CA ASN A 9 8.467 4.042 -6.196 1.00 0.00 C ATOM 149 C ASN A 9 8.561 5.571 -6.228 1.00 0.00 C ATOM 150 O ASN A 9 7.613 6.265 -5.909 1.00 0.00 O ATOM 151 CB ASN A 9 7.750 3.515 -7.441 1.00 0.00 C ATOM 152 CG ASN A 9 8.563 3.866 -8.689 1.00 0.00 C ATOM 153 OD1 ASN A 9 8.445 5.053 -9.219 1.00 0.00 O flip ATOM 154 ND2 ASN A 9 9.312 3.050 -9.188 1.00 0.00 N flip ATOM 0 H ASN A 9 6.622 3.519 -5.253 1.00 0.00 H new ATOM 0 HA ASN A 9 9.487 3.664 -6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 9 7.623 2.435 -7.370 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.753 3.950 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 9 9.404 2.122 -8.774 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.848 3.293 -10.021 1.00 0.00 H new ATOM 161 N GLY A 10 9.698 6.097 -6.605 1.00 0.00 N ATOM 162 CA GLY A 10 9.861 7.581 -6.658 1.00 0.00 C ATOM 163 C GLY A 10 10.823 8.031 -5.558 1.00 0.00 C ATOM 164 O GLY A 10 11.092 7.303 -4.622 1.00 0.00 O ATOM 0 H GLY A 10 10.522 5.562 -6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.243 7.880 -7.634 1.00 0.00 H new ATOM 0 HA3 GLY A 10 8.894 8.068 -6.531 1.00 0.00 H new ATOM 168 N LYS A 11 11.341 9.228 -5.668 1.00 0.00 N ATOM 169 CA LYS A 11 12.293 9.737 -4.631 1.00 0.00 C ATOM 170 C LYS A 11 11.611 9.785 -3.257 1.00 0.00 C ATOM 171 O LYS A 11 12.262 9.692 -2.233 1.00 0.00 O ATOM 172 CB LYS A 11 12.688 11.146 -5.093 1.00 0.00 C ATOM 173 CG LYS A 11 11.443 12.030 -5.220 1.00 0.00 C ATOM 174 CD LYS A 11 11.868 13.492 -5.370 1.00 0.00 C ATOM 175 CE LYS A 11 11.936 14.149 -3.991 1.00 0.00 C ATOM 176 NZ LYS A 11 12.818 15.335 -4.174 1.00 0.00 N ATOM 0 H LYS A 11 11.146 9.876 -6.431 1.00 0.00 H new ATOM 0 HA LYS A 11 13.165 9.091 -4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 11 13.385 11.588 -4.381 1.00 0.00 H new ATOM 0 HB3 LYS A 11 13.203 11.091 -6.052 1.00 0.00 H new ATOM 0 HG2 LYS A 11 10.852 11.722 -6.082 1.00 0.00 H new ATOM 0 HG3 LYS A 11 10.810 11.913 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 11 12.840 13.551 -5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 11 11.159 14.025 -6.003 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.945 14.443 -3.644 1.00 0.00 H new ATOM 0 HE3 LYS A 11 12.344 13.465 -3.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 12.914 15.839 -3.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 13.756 15.023 -4.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 12.401 15.972 -4.883 1.00 0.00 H new ATOM 190 N THR A 12 10.309 9.927 -3.232 1.00 0.00 N ATOM 191 CA THR A 12 9.582 9.978 -1.926 1.00 0.00 C ATOM 192 C THR A 12 9.473 8.572 -1.330 1.00 0.00 C ATOM 193 O THR A 12 8.993 7.658 -1.967 1.00 0.00 O ATOM 194 CB THR A 12 8.192 10.524 -2.261 1.00 0.00 C ATOM 195 OG1 THR A 12 7.714 9.902 -3.444 1.00 0.00 O ATOM 196 CG2 THR A 12 8.274 12.036 -2.472 1.00 0.00 C ATOM 0 H THR A 12 9.718 10.010 -4.059 1.00 0.00 H new ATOM 0 HA THR A 12 10.096 10.599 -1.193 1.00 0.00 H new ATOM 0 HB THR A 12 7.509 10.312 -1.439 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.954 8.952 -3.434 1.00 0.00 H new ATOM 0 HG21 THR A 12 7.284 12.424 -2.711 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.640 12.511 -1.562 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.956 12.252 -3.294 1.00 0.00 H new ATOM 204 N LEU A 13 9.919 8.398 -0.107 1.00 0.00 N ATOM 205 CA LEU A 13 9.856 7.052 0.556 1.00 0.00 C ATOM 206 C LEU A 13 10.576 5.997 -0.296 1.00 0.00 C ATOM 207 O LEU A 13 10.925 6.237 -1.436 1.00 0.00 O ATOM 208 CB LEU A 13 8.365 6.703 0.683 1.00 0.00 C ATOM 209 CG LEU A 13 7.879 6.978 2.108 1.00 0.00 C ATOM 210 CD1 LEU A 13 6.374 6.710 2.189 1.00 0.00 C ATOM 211 CD2 LEU A 13 8.610 6.055 3.086 1.00 0.00 C ATOM 0 H LEU A 13 10.328 9.137 0.466 1.00 0.00 H new ATOM 0 HA LEU A 13 10.346 7.071 1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.784 7.291 -0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 13 8.207 5.654 0.433 1.00 0.00 H new ATOM 0 HG LEU A 13 8.083 8.017 2.367 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.024 6.905 3.203 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.850 7.364 1.492 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.175 5.670 1.930 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.263 6.252 4.100 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.406 5.016 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 13 9.683 6.239 3.027 1.00 0.00 H new ATOM 223 N LYS A 14 10.795 4.827 0.254 1.00 0.00 N ATOM 224 CA LYS A 14 11.482 3.734 -0.503 1.00 0.00 C ATOM 225 C LYS A 14 11.595 2.484 0.376 1.00 0.00 C ATOM 226 O LYS A 14 12.555 2.313 1.102 1.00 0.00 O ATOM 227 CB LYS A 14 12.885 4.257 -0.869 1.00 0.00 C ATOM 228 CG LYS A 14 13.594 4.813 0.375 1.00 0.00 C ATOM 229 CD LYS A 14 15.048 4.333 0.400 1.00 0.00 C ATOM 230 CE LYS A 14 15.836 5.030 -0.712 1.00 0.00 C ATOM 231 NZ LYS A 14 17.132 4.301 -0.780 1.00 0.00 N ATOM 0 H LYS A 14 10.524 4.580 1.206 1.00 0.00 H new ATOM 0 HA LYS A 14 10.923 3.464 -1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 14 13.478 3.452 -1.303 1.00 0.00 H new ATOM 0 HB3 LYS A 14 12.803 5.036 -1.627 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.561 5.902 0.367 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.077 4.485 1.277 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.497 4.550 1.369 1.00 0.00 H new ATOM 0 HD3 LYS A 14 15.087 3.252 0.265 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.305 4.981 -1.663 1.00 0.00 H new ATOM 0 HE3 LYS A 14 15.988 6.085 -0.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.728 4.721 -1.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.618 4.371 0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.956 3.301 -1.003 1.00 0.00 H new ATOM 245 N GLY A 15 10.618 1.611 0.314 1.00 0.00 N ATOM 246 CA GLY A 15 10.671 0.374 1.150 1.00 0.00 C ATOM 247 C GLY A 15 9.467 -0.520 0.846 1.00 0.00 C ATOM 248 O GLY A 15 8.765 -0.326 -0.127 1.00 0.00 O ATOM 0 H GLY A 15 9.791 1.702 -0.276 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.595 -0.168 0.952 1.00 0.00 H new ATOM 0 HA3 GLY A 15 10.678 0.640 2.207 1.00 0.00 H new ATOM 252 N GLU A 16 9.233 -1.502 1.678 1.00 0.00 N ATOM 253 CA GLU A 16 8.084 -2.432 1.460 1.00 0.00 C ATOM 254 C GLU A 16 6.953 -2.123 2.442 1.00 0.00 C ATOM 255 O GLU A 16 5.791 -2.121 2.081 1.00 0.00 O ATOM 256 CB GLU A 16 8.661 -3.823 1.725 1.00 0.00 C ATOM 257 CG GLU A 16 7.750 -4.879 1.103 1.00 0.00 C ATOM 258 CD GLU A 16 8.499 -6.209 1.013 1.00 0.00 C ATOM 259 OE1 GLU A 16 8.934 -6.693 2.045 1.00 0.00 O ATOM 260 OE2 GLU A 16 8.626 -6.722 -0.087 1.00 0.00 O ATOM 0 H GLU A 16 9.794 -1.701 2.506 1.00 0.00 H new ATOM 0 HA GLU A 16 7.661 -2.343 0.460 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.664 -3.899 1.304 1.00 0.00 H new ATOM 0 HB3 GLU A 16 8.752 -3.992 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.849 -4.997 1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.431 -4.561 0.110 1.00 0.00 H new ATOM 267 N ILE A 17 7.282 -1.865 3.687 1.00 0.00 N ATOM 268 CA ILE A 17 6.229 -1.556 4.712 1.00 0.00 C ATOM 269 C ILE A 17 5.167 -2.664 4.738 1.00 0.00 C ATOM 270 O ILE A 17 4.144 -2.570 4.088 1.00 0.00 O ATOM 271 CB ILE A 17 5.607 -0.221 4.280 1.00 0.00 C ATOM 272 CG1 ILE A 17 6.697 0.853 4.203 1.00 0.00 C ATOM 273 CG2 ILE A 17 4.549 0.207 5.300 1.00 0.00 C ATOM 274 CD1 ILE A 17 6.128 2.113 3.548 1.00 0.00 C ATOM 0 H ILE A 17 8.239 -1.855 4.040 1.00 0.00 H new ATOM 0 HA ILE A 17 6.649 -1.495 5.716 1.00 0.00 H new ATOM 0 HB ILE A 17 5.143 -0.342 3.301 1.00 0.00 H new ATOM 0 HG12 ILE A 17 7.065 1.085 5.202 1.00 0.00 H new ATOM 0 HG13 ILE A 17 7.546 0.484 3.628 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.109 1.155 4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.770 -0.553 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 17 5.014 0.324 6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.904 2.877 3.493 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.781 1.875 2.542 1.00 0.00 H new ATOM 0 HD13 ILE A 17 5.293 2.486 4.141 1.00 0.00 H new ATOM 286 N THR A 18 5.412 -3.711 5.483 1.00 0.00 N ATOM 287 CA THR A 18 4.429 -4.836 5.557 1.00 0.00 C ATOM 288 C THR A 18 3.346 -4.529 6.595 1.00 0.00 C ATOM 289 O THR A 18 3.640 -4.240 7.740 1.00 0.00 O ATOM 290 CB THR A 18 5.249 -6.057 5.990 1.00 0.00 C ATOM 291 OG1 THR A 18 5.810 -5.817 7.272 1.00 0.00 O ATOM 292 CG2 THR A 18 6.373 -6.323 4.983 1.00 0.00 C ATOM 0 H THR A 18 6.253 -3.837 6.046 1.00 0.00 H new ATOM 0 HA THR A 18 3.923 -4.999 4.606 1.00 0.00 H new ATOM 0 HB THR A 18 4.595 -6.928 6.030 1.00 0.00 H new ATOM 0 HG1 THR A 18 5.286 -5.130 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 18 6.948 -7.192 5.301 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.943 -6.513 3.999 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.028 -5.453 4.931 1.00 0.00 H new ATOM 300 N ILE A 19 2.097 -4.599 6.206 1.00 0.00 N ATOM 301 CA ILE A 19 0.991 -4.319 7.179 1.00 0.00 C ATOM 302 C ILE A 19 -0.116 -5.373 7.058 1.00 0.00 C ATOM 303 O ILE A 19 -0.419 -5.845 5.980 1.00 0.00 O ATOM 304 CB ILE A 19 0.459 -2.921 6.824 1.00 0.00 C ATOM 305 CG1 ILE A 19 -0.123 -2.914 5.402 1.00 0.00 C ATOM 306 CG2 ILE A 19 1.596 -1.900 6.906 1.00 0.00 C ATOM 307 CD1 ILE A 19 -1.618 -3.247 5.453 1.00 0.00 C ATOM 0 H ILE A 19 1.794 -4.837 5.261 1.00 0.00 H new ATOM 0 HA ILE A 19 1.346 -4.357 8.209 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.326 -2.658 7.533 1.00 0.00 H new ATOM 0 HG12 ILE A 19 0.026 -1.937 4.943 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.400 -3.641 4.781 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.215 -0.910 6.654 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.000 -1.886 7.918 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.384 -2.175 6.205 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.027 -3.241 4.443 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.756 -4.234 5.894 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.136 -2.503 6.058 1.00 0.00 H new ATOM 319 N GLU A 20 -0.719 -5.740 8.162 1.00 0.00 N ATOM 320 CA GLU A 20 -1.808 -6.762 8.125 1.00 0.00 C ATOM 321 C GLU A 20 -3.140 -6.105 7.752 1.00 0.00 C ATOM 322 O GLU A 20 -3.356 -4.935 8.009 1.00 0.00 O ATOM 323 CB GLU A 20 -1.867 -7.328 9.544 1.00 0.00 C ATOM 324 CG GLU A 20 -0.838 -8.451 9.691 1.00 0.00 C ATOM 325 CD GLU A 20 -1.222 -9.345 10.871 1.00 0.00 C ATOM 326 OE1 GLU A 20 -1.730 -8.818 11.847 1.00 0.00 O ATOM 327 OE2 GLU A 20 -1.003 -10.541 10.779 1.00 0.00 O ATOM 0 H GLU A 20 -0.502 -5.374 9.089 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.620 -7.539 7.384 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -1.666 -6.540 10.270 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.867 -7.707 9.754 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.793 -9.040 8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 20 0.155 -8.030 9.848 1.00 0.00 H new ATOM 334 N ALA A 21 -4.031 -6.851 7.148 1.00 0.00 N ATOM 335 CA ALA A 21 -5.354 -6.279 6.753 1.00 0.00 C ATOM 336 C ALA A 21 -6.312 -7.398 6.332 1.00 0.00 C ATOM 337 O ALA A 21 -5.892 -8.463 5.924 1.00 0.00 O ATOM 338 CB ALA A 21 -5.048 -5.365 5.566 1.00 0.00 C ATOM 0 H ALA A 21 -3.898 -7.834 6.911 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.833 -5.742 7.572 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -5.971 -4.904 5.214 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -4.349 -4.588 5.876 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.605 -5.951 4.760 1.00 0.00 H new ATOM 344 N VAL A 22 -7.599 -7.163 6.427 1.00 0.00 N ATOM 345 CA VAL A 22 -8.597 -8.210 6.033 1.00 0.00 C ATOM 346 C VAL A 22 -8.320 -8.711 4.606 1.00 0.00 C ATOM 347 O VAL A 22 -8.432 -9.887 4.316 1.00 0.00 O ATOM 348 CB VAL A 22 -9.964 -7.512 6.115 1.00 0.00 C ATOM 349 CG1 VAL A 22 -9.999 -6.317 5.156 1.00 0.00 C ATOM 350 CG2 VAL A 22 -11.069 -8.503 5.736 1.00 0.00 C ATOM 0 H VAL A 22 -8.003 -6.288 6.762 1.00 0.00 H new ATOM 0 HA VAL A 22 -8.551 -9.085 6.681 1.00 0.00 H new ATOM 0 HB VAL A 22 -10.124 -7.159 7.134 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -10.971 -5.828 5.220 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -9.217 -5.608 5.429 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -9.834 -6.664 4.136 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -12.038 -8.007 5.794 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -10.905 -8.860 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -11.052 -9.348 6.424 1.00 0.00 H new ATOM 360 N ASP A 23 -7.955 -7.817 3.727 1.00 0.00 N ATOM 361 CA ASP A 23 -7.657 -8.208 2.318 1.00 0.00 C ATOM 362 C ASP A 23 -6.790 -7.127 1.677 1.00 0.00 C ATOM 363 O ASP A 23 -6.471 -6.134 2.306 1.00 0.00 O ATOM 364 CB ASP A 23 -9.019 -8.291 1.627 1.00 0.00 C ATOM 365 CG ASP A 23 -9.472 -9.753 1.560 1.00 0.00 C ATOM 366 OD1 ASP A 23 -9.121 -10.417 0.599 1.00 0.00 O ATOM 367 OD2 ASP A 23 -10.161 -10.181 2.472 1.00 0.00 O ATOM 0 H ASP A 23 -7.849 -6.822 3.927 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.118 -9.153 2.243 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -9.752 -7.697 2.173 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -8.955 -7.873 0.622 1.00 0.00 H new ATOM 372 N ALA A 24 -6.401 -7.303 0.438 1.00 0.00 N ATOM 373 CA ALA A 24 -5.549 -6.266 -0.218 1.00 0.00 C ATOM 374 C ALA A 24 -6.322 -4.951 -0.323 1.00 0.00 C ATOM 375 O ALA A 24 -5.743 -3.882 -0.338 1.00 0.00 O ATOM 376 CB ALA A 24 -5.221 -6.807 -1.608 1.00 0.00 C ATOM 0 H ALA A 24 -6.634 -8.110 -0.141 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.641 -6.067 0.351 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.597 -6.089 -2.140 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.687 -7.753 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -6.145 -6.966 -2.164 1.00 0.00 H new ATOM 382 N ALA A 25 -7.631 -5.024 -0.385 1.00 0.00 N ATOM 383 CA ALA A 25 -8.455 -3.781 -0.479 1.00 0.00 C ATOM 384 C ALA A 25 -8.135 -2.855 0.697 1.00 0.00 C ATOM 385 O ALA A 25 -7.767 -1.711 0.515 1.00 0.00 O ATOM 386 CB ALA A 25 -9.911 -4.250 -0.412 1.00 0.00 C ATOM 0 H ALA A 25 -8.163 -5.894 -0.374 1.00 0.00 H new ATOM 0 HA ALA A 25 -8.256 -3.223 -1.394 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.574 -3.387 -0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -10.114 -4.926 -1.243 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.082 -4.771 0.530 1.00 0.00 H new ATOM 392 N GLU A 26 -8.254 -3.357 1.901 1.00 0.00 N ATOM 393 CA GLU A 26 -7.937 -2.521 3.099 1.00 0.00 C ATOM 394 C GLU A 26 -6.458 -2.135 3.071 1.00 0.00 C ATOM 395 O GLU A 26 -6.095 -1.004 3.331 1.00 0.00 O ATOM 396 CB GLU A 26 -8.239 -3.412 4.306 1.00 0.00 C ATOM 397 CG GLU A 26 -9.623 -3.071 4.865 1.00 0.00 C ATOM 398 CD GLU A 26 -9.607 -3.204 6.388 1.00 0.00 C ATOM 399 OE1 GLU A 26 -8.634 -2.779 6.990 1.00 0.00 O ATOM 400 OE2 GLU A 26 -10.568 -3.726 6.927 1.00 0.00 O ATOM 0 H GLU A 26 -8.557 -4.309 2.106 1.00 0.00 H new ATOM 0 HA GLU A 26 -8.516 -1.598 3.131 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -8.203 -4.461 4.014 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.480 -3.269 5.075 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.901 -2.056 4.581 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.373 -3.738 4.439 1.00 0.00 H new ATOM 407 N ALA A 27 -5.597 -3.070 2.739 1.00 0.00 N ATOM 408 CA ALA A 27 -4.129 -2.767 2.670 1.00 0.00 C ATOM 409 C ALA A 27 -3.891 -1.554 1.768 1.00 0.00 C ATOM 410 O ALA A 27 -3.163 -0.644 2.114 1.00 0.00 O ATOM 411 CB ALA A 27 -3.479 -4.010 2.059 1.00 0.00 C ATOM 0 H ALA A 27 -5.848 -4.032 2.512 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.715 -2.536 3.651 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.403 -3.856 1.980 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.676 -4.873 2.694 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.894 -4.187 1.067 1.00 0.00 H new ATOM 417 N GLU A 28 -4.523 -1.531 0.617 1.00 0.00 N ATOM 418 CA GLU A 28 -4.355 -0.370 -0.307 1.00 0.00 C ATOM 419 C GLU A 28 -4.821 0.907 0.396 1.00 0.00 C ATOM 420 O GLU A 28 -4.213 1.944 0.262 1.00 0.00 O ATOM 421 CB GLU A 28 -5.230 -0.679 -1.528 1.00 0.00 C ATOM 422 CG GLU A 28 -4.711 0.097 -2.745 1.00 0.00 C ATOM 423 CD GLU A 28 -5.809 0.175 -3.807 1.00 0.00 C ATOM 424 OE1 GLU A 28 -5.894 -0.739 -4.612 1.00 0.00 O ATOM 425 OE2 GLU A 28 -6.548 1.145 -3.797 1.00 0.00 O ATOM 0 H GLU A 28 -5.146 -2.266 0.281 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.317 -0.218 -0.603 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.218 -1.749 -1.735 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.265 -0.405 -1.324 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.407 1.100 -2.447 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.829 -0.395 -3.154 1.00 0.00 H new ATOM 432 N LYS A 29 -5.878 0.827 1.170 1.00 0.00 N ATOM 433 CA LYS A 29 -6.360 2.039 1.908 1.00 0.00 C ATOM 434 C LYS A 29 -5.294 2.459 2.922 1.00 0.00 C ATOM 435 O LYS A 29 -4.797 3.572 2.905 1.00 0.00 O ATOM 436 CB LYS A 29 -7.635 1.604 2.638 1.00 0.00 C ATOM 437 CG LYS A 29 -8.683 1.136 1.625 1.00 0.00 C ATOM 438 CD LYS A 29 -9.198 2.330 0.822 1.00 0.00 C ATOM 439 CE LYS A 29 -9.899 3.322 1.755 1.00 0.00 C ATOM 440 NZ LYS A 29 -11.040 3.858 0.963 1.00 0.00 N ATOM 0 H LYS A 29 -6.425 -0.020 1.322 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.552 2.881 1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -7.407 0.799 3.337 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -8.029 2.434 3.225 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.248 0.396 0.954 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.510 0.650 2.142 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -8.369 2.821 0.312 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.890 1.990 0.052 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.246 2.831 2.664 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -9.223 4.120 2.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.568 4.546 1.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.679 4.326 0.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.671 3.077 0.691 1.00 0.00 H new ATOM 454 N ILE A 30 -4.924 1.553 3.796 1.00 0.00 N ATOM 455 CA ILE A 30 -3.874 1.859 4.817 1.00 0.00 C ATOM 456 C ILE A 30 -2.608 2.352 4.112 1.00 0.00 C ATOM 457 O ILE A 30 -1.978 3.301 4.536 1.00 0.00 O ATOM 458 CB ILE A 30 -3.615 0.524 5.534 1.00 0.00 C ATOM 459 CG1 ILE A 30 -4.883 0.090 6.276 1.00 0.00 C ATOM 460 CG2 ILE A 30 -2.469 0.682 6.541 1.00 0.00 C ATOM 461 CD1 ILE A 30 -4.877 -1.430 6.476 1.00 0.00 C ATOM 0 H ILE A 30 -5.307 0.609 3.845 1.00 0.00 H new ATOM 0 HA ILE A 30 -4.178 2.637 5.518 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.342 -0.230 4.795 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.939 0.592 7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.766 0.387 5.710 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -2.293 -0.269 7.044 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.564 0.988 6.017 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -2.735 1.439 7.279 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.782 -1.731 7.004 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -4.842 -1.925 5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.003 -1.717 7.061 1.00 0.00 H new ATOM 473 N PHE A 31 -2.251 1.714 3.030 1.00 0.00 N ATOM 474 CA PHE A 31 -1.040 2.136 2.272 1.00 0.00 C ATOM 475 C PHE A 31 -1.308 3.475 1.582 1.00 0.00 C ATOM 476 O PHE A 31 -0.445 4.327 1.500 1.00 0.00 O ATOM 477 CB PHE A 31 -0.810 1.031 1.236 1.00 0.00 C ATOM 478 CG PHE A 31 -0.008 -0.095 1.849 1.00 0.00 C ATOM 479 CD1 PHE A 31 1.182 0.179 2.533 1.00 0.00 C ATOM 480 CD2 PHE A 31 -0.458 -1.414 1.729 1.00 0.00 C ATOM 481 CE1 PHE A 31 1.924 -0.867 3.095 1.00 0.00 C ATOM 482 CE2 PHE A 31 0.283 -2.460 2.292 1.00 0.00 C ATOM 483 CZ PHE A 31 1.475 -2.186 2.974 1.00 0.00 C ATOM 0 H PHE A 31 -2.749 0.915 2.637 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.170 2.270 2.914 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.767 0.653 0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.283 1.435 0.372 1.00 0.00 H new ATOM 0 HD1 PHE A 31 1.528 1.198 2.627 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -1.377 -1.625 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 31 2.843 -0.655 3.622 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -0.065 -3.478 2.200 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.048 -2.993 3.407 1.00 0.00 H new ATOM 493 N LYS A 32 -2.506 3.659 1.083 1.00 0.00 N ATOM 494 CA LYS A 32 -2.853 4.933 0.393 1.00 0.00 C ATOM 495 C LYS A 32 -3.103 6.066 1.397 1.00 0.00 C ATOM 496 O LYS A 32 -3.361 7.189 1.005 1.00 0.00 O ATOM 497 CB LYS A 32 -4.122 4.637 -0.407 1.00 0.00 C ATOM 498 CG LYS A 32 -3.769 3.820 -1.661 1.00 0.00 C ATOM 499 CD LYS A 32 -3.970 4.678 -2.914 1.00 0.00 C ATOM 500 CE LYS A 32 -4.417 3.788 -4.075 1.00 0.00 C ATOM 501 NZ LYS A 32 -5.230 4.678 -4.949 1.00 0.00 N ATOM 0 H LYS A 32 -3.261 2.974 1.126 1.00 0.00 H new ATOM 0 HA LYS A 32 -2.036 5.267 -0.246 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.831 4.085 0.210 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.608 5.570 -0.694 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -2.735 3.479 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.396 2.930 -1.714 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -4.717 5.449 -2.724 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -3.042 5.190 -3.170 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.561 3.381 -4.613 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.003 2.940 -3.720 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.573 4.139 -5.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.041 5.045 -4.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -4.644 5.472 -5.277 1.00 0.00 H new ATOM 515 N GLN A 33 -2.969 5.809 2.679 1.00 0.00 N ATOM 516 CA GLN A 33 -3.134 6.909 3.680 1.00 0.00 C ATOM 517 C GLN A 33 -1.720 7.239 4.112 1.00 0.00 C ATOM 518 O GLN A 33 -1.275 8.369 4.117 1.00 0.00 O ATOM 519 CB GLN A 33 -3.949 6.316 4.829 1.00 0.00 C ATOM 520 CG GLN A 33 -4.390 7.436 5.775 1.00 0.00 C ATOM 521 CD GLN A 33 -4.401 6.918 7.216 1.00 0.00 C ATOM 522 OE1 GLN A 33 -4.005 7.618 8.127 1.00 0.00 O ATOM 523 NE2 GLN A 33 -4.840 5.714 7.462 1.00 0.00 N ATOM 0 H GLN A 33 -2.754 4.892 3.071 1.00 0.00 H new ATOM 0 HA GLN A 33 -3.639 7.804 3.316 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -4.821 5.792 4.438 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -3.353 5.582 5.371 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.713 8.286 5.689 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -5.383 7.790 5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -5.172 5.126 6.698 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -4.851 5.361 8.419 1.00 0.00 H new ATOM 532 N TYR A 34 -1.000 6.191 4.389 1.00 0.00 N ATOM 533 CA TYR A 34 0.441 6.266 4.744 1.00 0.00 C ATOM 534 C TYR A 34 1.180 7.195 3.769 1.00 0.00 C ATOM 535 O TYR A 34 1.896 8.098 4.155 1.00 0.00 O ATOM 536 CB TYR A 34 0.885 4.828 4.500 1.00 0.00 C ATOM 537 CG TYR A 34 2.087 4.504 5.350 1.00 0.00 C ATOM 538 CD1 TYR A 34 3.370 4.798 4.875 1.00 0.00 C ATOM 539 CD2 TYR A 34 1.923 3.912 6.608 1.00 0.00 C ATOM 540 CE1 TYR A 34 4.492 4.502 5.658 1.00 0.00 C ATOM 541 CE2 TYR A 34 3.044 3.615 7.391 1.00 0.00 C ATOM 542 CZ TYR A 34 4.329 3.910 6.917 1.00 0.00 C ATOM 543 OH TYR A 34 5.434 3.617 7.690 1.00 0.00 O ATOM 0 H TYR A 34 -1.372 5.241 4.383 1.00 0.00 H new ATOM 0 HA TYR A 34 0.633 6.644 5.748 1.00 0.00 H new ATOM 0 HB2 TYR A 34 0.070 4.143 4.734 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.127 4.688 3.446 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.495 5.254 3.904 1.00 0.00 H new ATOM 0 HD2 TYR A 34 0.933 3.685 6.974 1.00 0.00 H new ATOM 0 HE1 TYR A 34 5.482 4.730 5.292 1.00 0.00 H new ATOM 0 HE2 TYR A 34 2.919 3.158 8.361 1.00 0.00 H new ATOM 0 HH TYR A 34 5.145 3.211 8.534 1.00 0.00 H new ATOM 553 N ALA A 35 0.989 6.954 2.498 1.00 0.00 N ATOM 554 CA ALA A 35 1.647 7.785 1.446 1.00 0.00 C ATOM 555 C ALA A 35 1.197 9.245 1.556 1.00 0.00 C ATOM 556 O ALA A 35 2.006 10.148 1.646 1.00 0.00 O ATOM 557 CB ALA A 35 1.175 7.186 0.119 1.00 0.00 C ATOM 0 H ALA A 35 0.396 6.205 2.139 1.00 0.00 H new ATOM 0 HA ALA A 35 2.733 7.779 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 35 1.616 7.742 -0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.484 6.143 0.060 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.088 7.246 0.059 1.00 0.00 H new ATOM 563 N ASN A 36 -0.092 9.477 1.542 1.00 0.00 N ATOM 564 CA ASN A 36 -0.617 10.879 1.638 1.00 0.00 C ATOM 565 C ASN A 36 -0.079 11.575 2.892 1.00 0.00 C ATOM 566 O ASN A 36 0.372 12.705 2.840 1.00 0.00 O ATOM 567 CB ASN A 36 -2.133 10.732 1.729 1.00 0.00 C ATOM 568 CG ASN A 36 -2.714 10.556 0.325 1.00 0.00 C ATOM 569 OD1 ASN A 36 -3.198 11.501 -0.266 1.00 0.00 O ATOM 570 ND2 ASN A 36 -2.687 9.379 -0.239 1.00 0.00 N ATOM 0 H ASN A 36 -0.808 8.754 1.468 1.00 0.00 H new ATOM 0 HA ASN A 36 -0.310 11.483 0.784 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -2.389 9.874 2.350 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -2.566 11.611 2.206 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -3.072 9.253 -1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -2.281 8.585 0.256 1.00 0.00 H new ATOM 577 N ASP A 37 -0.127 10.908 4.013 1.00 0.00 N ATOM 578 CA ASP A 37 0.381 11.523 5.280 1.00 0.00 C ATOM 579 C ASP A 37 1.875 11.849 5.175 1.00 0.00 C ATOM 580 O ASP A 37 2.405 12.612 5.960 1.00 0.00 O ATOM 581 CB ASP A 37 0.135 10.474 6.366 1.00 0.00 C ATOM 582 CG ASP A 37 -1.365 10.202 6.485 1.00 0.00 C ATOM 583 OD1 ASP A 37 -2.124 11.157 6.460 1.00 0.00 O ATOM 584 OD2 ASP A 37 -1.731 9.044 6.598 1.00 0.00 O ATOM 0 H ASP A 37 -0.496 9.962 4.110 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.124 12.464 5.498 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.664 9.553 6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.528 10.824 7.320 1.00 0.00 H new ATOM 589 N ASN A 38 2.555 11.274 4.217 1.00 0.00 N ATOM 590 CA ASN A 38 4.007 11.538 4.060 1.00 0.00 C ATOM 591 C ASN A 38 4.270 12.401 2.819 1.00 0.00 C ATOM 592 O ASN A 38 5.239 13.137 2.763 1.00 0.00 O ATOM 593 CB ASN A 38 4.645 10.158 3.909 1.00 0.00 C ATOM 594 CG ASN A 38 6.164 10.303 3.810 1.00 0.00 C ATOM 595 OD1 ASN A 38 6.678 10.756 2.806 1.00 0.00 O ATOM 596 ND2 ASN A 38 6.908 9.937 4.817 1.00 0.00 N ATOM 0 H ASN A 38 2.159 10.628 3.534 1.00 0.00 H new ATOM 0 HA ASN A 38 4.418 12.086 4.908 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.384 9.531 4.761 1.00 0.00 H new ATOM 0 HB3 ASN A 38 4.258 9.663 3.018 1.00 0.00 H new ATOM 0 HD21 ASN A 38 7.922 10.031 4.762 1.00 0.00 H new ATOM 0 HD22 ASN A 38 6.476 9.557 5.659 1.00 0.00 H new ATOM 603 N GLY A 39 3.417 12.318 1.828 1.00 0.00 N ATOM 604 CA GLY A 39 3.616 13.135 0.590 1.00 0.00 C ATOM 605 C GLY A 39 3.901 12.215 -0.600 1.00 0.00 C ATOM 606 O GLY A 39 4.607 12.581 -1.522 1.00 0.00 O ATOM 0 H GLY A 39 2.591 11.720 1.822 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.728 13.735 0.393 1.00 0.00 H new ATOM 0 HA3 GLY A 39 4.444 13.829 0.731 1.00 0.00 H new ATOM 610 N ILE A 40 3.357 11.026 -0.587 1.00 0.00 N ATOM 611 CA ILE A 40 3.586 10.070 -1.712 1.00 0.00 C ATOM 612 C ILE A 40 2.354 10.067 -2.624 1.00 0.00 C ATOM 613 O ILE A 40 1.279 9.650 -2.233 1.00 0.00 O ATOM 614 CB ILE A 40 3.827 8.722 -0.999 1.00 0.00 C ATOM 615 CG1 ILE A 40 5.310 8.601 -0.669 1.00 0.00 C ATOM 616 CG2 ILE A 40 3.418 7.512 -1.842 1.00 0.00 C ATOM 617 CD1 ILE A 40 5.658 9.641 0.382 1.00 0.00 C ATOM 0 H ILE A 40 2.759 10.673 0.160 1.00 0.00 H new ATOM 0 HA ILE A 40 4.426 10.317 -2.362 1.00 0.00 H new ATOM 0 HB ILE A 40 3.208 8.719 -0.102 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.535 7.600 -0.300 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.911 8.753 -1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.613 6.597 -1.283 1.00 0.00 H new ATOM 0 HG22 ILE A 40 2.355 7.574 -2.077 1.00 0.00 H new ATOM 0 HG23 ILE A 40 3.994 7.502 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 40 6.717 9.568 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.444 10.637 -0.007 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.063 9.466 1.278 1.00 0.00 H new ATOM 629 N ASP A 41 2.513 10.538 -3.828 1.00 0.00 N ATOM 630 CA ASP A 41 1.356 10.578 -4.778 1.00 0.00 C ATOM 631 C ASP A 41 1.829 10.499 -6.234 1.00 0.00 C ATOM 632 O ASP A 41 2.396 11.435 -6.765 1.00 0.00 O ATOM 633 CB ASP A 41 0.678 11.922 -4.512 1.00 0.00 C ATOM 634 CG ASP A 41 -0.833 11.780 -4.705 1.00 0.00 C ATOM 635 OD1 ASP A 41 -1.270 11.814 -5.843 1.00 0.00 O ATOM 636 OD2 ASP A 41 -1.528 11.639 -3.712 1.00 0.00 O ATOM 0 H ASP A 41 3.392 10.898 -4.200 1.00 0.00 H new ATOM 0 HA ASP A 41 0.684 9.733 -4.629 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.896 12.256 -3.498 1.00 0.00 H new ATOM 0 HB3 ASP A 41 1.072 12.680 -5.189 1.00 0.00 H new ATOM 641 N GLY A 42 1.581 9.388 -6.884 1.00 0.00 N ATOM 642 CA GLY A 42 1.993 9.233 -8.312 1.00 0.00 C ATOM 643 C GLY A 42 1.174 8.111 -8.960 1.00 0.00 C ATOM 644 O GLY A 42 0.074 8.331 -9.430 1.00 0.00 O ATOM 0 H GLY A 42 1.108 8.578 -6.483 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.838 10.168 -8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.057 9.003 -8.372 1.00 0.00 H new ATOM 648 N GLU A 43 1.707 6.912 -9.000 1.00 0.00 N ATOM 649 CA GLU A 43 0.958 5.776 -9.632 1.00 0.00 C ATOM 650 C GLU A 43 0.831 4.580 -8.673 1.00 0.00 C ATOM 651 O GLU A 43 1.815 4.048 -8.204 1.00 0.00 O ATOM 652 CB GLU A 43 1.797 5.387 -10.848 1.00 0.00 C ATOM 653 CG GLU A 43 0.877 4.904 -11.971 1.00 0.00 C ATOM 654 CD GLU A 43 1.607 3.860 -12.818 1.00 0.00 C ATOM 655 OE1 GLU A 43 2.340 4.255 -13.708 1.00 0.00 O ATOM 656 OE2 GLU A 43 1.419 2.681 -12.561 1.00 0.00 O ATOM 0 H GLU A 43 2.624 6.671 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 43 -0.060 6.066 -9.894 1.00 0.00 H new ATOM 0 HB2 GLU A 43 2.384 6.241 -11.186 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.503 4.602 -10.579 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -0.033 4.475 -11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 43 0.574 5.745 -12.594 1.00 0.00 H new ATOM 663 N TRP A 44 -0.379 4.151 -8.399 1.00 0.00 N ATOM 664 CA TRP A 44 -0.597 2.980 -7.484 1.00 0.00 C ATOM 665 C TRP A 44 -0.946 1.730 -8.292 1.00 0.00 C ATOM 666 O TRP A 44 -1.734 1.780 -9.216 1.00 0.00 O ATOM 667 CB TRP A 44 -1.793 3.374 -6.615 1.00 0.00 C ATOM 668 CG TRP A 44 -1.324 4.173 -5.452 1.00 0.00 C ATOM 669 CD1 TRP A 44 -1.127 5.511 -5.444 1.00 0.00 C ATOM 670 CD2 TRP A 44 -0.992 3.699 -4.124 1.00 0.00 C ATOM 671 NE1 TRP A 44 -0.689 5.887 -4.186 1.00 0.00 N ATOM 672 CE2 TRP A 44 -0.588 4.801 -3.337 1.00 0.00 C ATOM 673 CE3 TRP A 44 -1.002 2.425 -3.536 1.00 0.00 C ATOM 674 CZ2 TRP A 44 -0.202 4.644 -2.008 1.00 0.00 C ATOM 675 CZ3 TRP A 44 -0.614 2.262 -2.198 1.00 0.00 C ATOM 676 CH2 TRP A 44 -0.214 3.369 -1.436 1.00 0.00 C ATOM 0 H TRP A 44 -1.233 4.565 -8.773 1.00 0.00 H new ATOM 0 HA TRP A 44 0.293 2.754 -6.897 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -2.507 3.952 -7.202 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.314 2.481 -6.269 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.285 6.176 -6.280 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.468 6.846 -3.919 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.309 1.567 -4.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 0.104 5.500 -1.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -0.623 1.278 -1.752 1.00 0.00 H new ATOM 0 HH2 TRP A 44 0.085 3.236 -0.407 1.00 0.00 H new ATOM 687 N THR A 45 -0.374 0.608 -7.938 1.00 0.00 N ATOM 688 CA THR A 45 -0.680 -0.661 -8.670 1.00 0.00 C ATOM 689 C THR A 45 -0.607 -1.829 -7.700 1.00 0.00 C ATOM 690 O THR A 45 0.345 -1.961 -6.958 1.00 0.00 O ATOM 691 CB THR A 45 0.392 -0.826 -9.760 1.00 0.00 C ATOM 692 OG1 THR A 45 1.615 -1.236 -9.165 1.00 0.00 O ATOM 693 CG2 THR A 45 0.607 0.489 -10.506 1.00 0.00 C ATOM 0 H THR A 45 0.293 0.514 -7.172 1.00 0.00 H new ATOM 0 HA THR A 45 -1.677 -0.632 -9.109 1.00 0.00 H new ATOM 0 HB THR A 45 0.054 -1.581 -10.470 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.504 -1.288 -8.193 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.369 0.352 -11.273 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.327 0.799 -10.974 1.00 0.00 H new ATOM 0 HG23 THR A 45 0.933 1.256 -9.804 1.00 0.00 H new ATOM 701 N TYR A 46 -1.595 -2.677 -7.710 1.00 0.00 N ATOM 702 CA TYR A 46 -1.581 -3.850 -6.788 1.00 0.00 C ATOM 703 C TYR A 46 -1.026 -5.079 -7.520 1.00 0.00 C ATOM 704 O TYR A 46 -1.281 -5.283 -8.691 1.00 0.00 O ATOM 705 CB TYR A 46 -3.045 -4.056 -6.370 1.00 0.00 C ATOM 706 CG TYR A 46 -3.173 -5.343 -5.579 1.00 0.00 C ATOM 707 CD1 TYR A 46 -2.429 -5.517 -4.408 1.00 0.00 C ATOM 708 CD2 TYR A 46 -4.019 -6.363 -6.030 1.00 0.00 C ATOM 709 CE1 TYR A 46 -2.531 -6.710 -3.685 1.00 0.00 C ATOM 710 CE2 TYR A 46 -4.123 -7.557 -5.305 1.00 0.00 C ATOM 711 CZ TYR A 46 -3.378 -7.729 -4.134 1.00 0.00 C ATOM 712 OH TYR A 46 -3.478 -8.907 -3.421 1.00 0.00 O ATOM 0 H TYR A 46 -2.413 -2.611 -8.316 1.00 0.00 H new ATOM 0 HA TYR A 46 -0.945 -3.692 -5.917 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -3.384 -3.213 -5.768 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -3.683 -4.095 -7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.775 -4.730 -4.062 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -4.591 -6.229 -6.936 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -1.956 -6.844 -2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -4.778 -8.344 -5.650 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.059 -9.633 -3.928 1.00 0.00 H new ATOM 722 N ASP A 47 -0.280 -5.902 -6.825 1.00 0.00 N ATOM 723 CA ASP A 47 0.285 -7.127 -7.461 1.00 0.00 C ATOM 724 C ASP A 47 -0.339 -8.372 -6.824 1.00 0.00 C ATOM 725 O ASP A 47 0.039 -8.784 -5.742 1.00 0.00 O ATOM 726 CB ASP A 47 1.789 -7.076 -7.185 1.00 0.00 C ATOM 727 CG ASP A 47 2.386 -5.816 -7.818 1.00 0.00 C ATOM 728 OD1 ASP A 47 2.219 -5.641 -9.013 1.00 0.00 O ATOM 729 OD2 ASP A 47 3.004 -5.049 -7.097 1.00 0.00 O ATOM 0 H ASP A 47 -0.039 -5.776 -5.842 1.00 0.00 H new ATOM 0 HA ASP A 47 0.079 -7.171 -8.531 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.972 -7.077 -6.110 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.274 -7.964 -7.591 1.00 0.00 H new ATOM 734 N ASP A 48 -1.291 -8.975 -7.495 1.00 0.00 N ATOM 735 CA ASP A 48 -1.953 -10.199 -6.940 1.00 0.00 C ATOM 736 C ASP A 48 -1.010 -11.416 -6.973 1.00 0.00 C ATOM 737 O ASP A 48 -1.354 -12.479 -6.491 1.00 0.00 O ATOM 738 CB ASP A 48 -3.173 -10.438 -7.838 1.00 0.00 C ATOM 739 CG ASP A 48 -2.723 -10.639 -9.289 1.00 0.00 C ATOM 740 OD1 ASP A 48 -2.176 -9.705 -9.852 1.00 0.00 O ATOM 741 OD2 ASP A 48 -2.934 -11.721 -9.810 1.00 0.00 O ATOM 0 H ASP A 48 -1.639 -8.672 -8.405 1.00 0.00 H new ATOM 0 HA ASP A 48 -2.230 -10.061 -5.895 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.722 -11.314 -7.494 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.854 -9.589 -7.774 1.00 0.00 H new ATOM 746 N ALA A 49 0.169 -11.270 -7.525 1.00 0.00 N ATOM 747 CA ALA A 49 1.127 -12.413 -7.575 1.00 0.00 C ATOM 748 C ALA A 49 1.991 -12.414 -6.314 1.00 0.00 C ATOM 749 O ALA A 49 2.455 -13.447 -5.870 1.00 0.00 O ATOM 750 CB ALA A 49 1.985 -12.162 -8.815 1.00 0.00 C ATOM 0 H ALA A 49 0.509 -10.404 -7.944 1.00 0.00 H new ATOM 0 HA ALA A 49 0.624 -13.379 -7.624 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.716 -12.963 -8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 49 1.348 -12.134 -9.699 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.504 -11.209 -8.712 1.00 0.00 H new ATOM 756 N THR A 50 2.196 -11.261 -5.727 1.00 0.00 N ATOM 757 CA THR A 50 3.014 -11.183 -4.484 1.00 0.00 C ATOM 758 C THR A 50 2.276 -10.367 -3.416 1.00 0.00 C ATOM 759 O THR A 50 2.835 -10.031 -2.389 1.00 0.00 O ATOM 760 CB THR A 50 4.304 -10.477 -4.903 1.00 0.00 C ATOM 761 OG1 THR A 50 3.990 -9.202 -5.444 1.00 0.00 O ATOM 762 CG2 THR A 50 5.025 -11.318 -5.956 1.00 0.00 C ATOM 0 H THR A 50 1.829 -10.369 -6.059 1.00 0.00 H new ATOM 0 HA THR A 50 3.209 -12.166 -4.054 1.00 0.00 H new ATOM 0 HB THR A 50 4.951 -10.352 -4.035 1.00 0.00 H new ATOM 0 HG1 THR A 50 3.984 -8.535 -4.726 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.945 -10.816 -6.256 1.00 0.00 H new ATOM 0 HG22 THR A 50 5.265 -12.296 -5.539 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.380 -11.443 -6.826 1.00 0.00 H new ATOM 770 N LYS A 51 1.019 -10.039 -3.650 1.00 0.00 N ATOM 771 CA LYS A 51 0.237 -9.239 -2.652 1.00 0.00 C ATOM 772 C LYS A 51 0.989 -7.953 -2.293 1.00 0.00 C ATOM 773 O LYS A 51 1.053 -7.559 -1.144 1.00 0.00 O ATOM 774 CB LYS A 51 0.090 -10.143 -1.422 1.00 0.00 C ATOM 775 CG LYS A 51 -0.731 -11.384 -1.790 1.00 0.00 C ATOM 776 CD LYS A 51 -2.190 -11.178 -1.374 1.00 0.00 C ATOM 777 CE LYS A 51 -2.871 -12.539 -1.209 1.00 0.00 C ATOM 778 NZ LYS A 51 -4.302 -12.298 -1.547 1.00 0.00 N ATOM 0 H LYS A 51 0.504 -10.294 -4.493 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.734 -8.938 -3.045 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.073 -10.440 -1.057 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.398 -9.598 -0.614 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.671 -11.567 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.322 -12.264 -1.293 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -2.237 -10.620 -0.439 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.713 -10.586 -2.125 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -2.429 -13.284 -1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.764 -12.913 -0.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -4.834 -13.187 -1.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.698 -11.590 -0.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.374 -11.949 -2.524 1.00 0.00 H new ATOM 792 N THR A 52 1.562 -7.304 -3.274 1.00 0.00 N ATOM 793 CA THR A 52 2.317 -6.041 -3.001 1.00 0.00 C ATOM 794 C THR A 52 1.823 -4.918 -3.918 1.00 0.00 C ATOM 795 O THR A 52 1.557 -5.134 -5.083 1.00 0.00 O ATOM 796 CB THR A 52 3.777 -6.380 -3.305 1.00 0.00 C ATOM 797 OG1 THR A 52 4.087 -7.660 -2.773 1.00 0.00 O ATOM 798 CG2 THR A 52 4.689 -5.327 -2.673 1.00 0.00 C ATOM 0 H THR A 52 1.541 -7.593 -4.252 1.00 0.00 H new ATOM 0 HA THR A 52 2.184 -5.693 -1.977 1.00 0.00 H new ATOM 0 HB THR A 52 3.930 -6.390 -4.384 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.022 -7.878 -2.969 1.00 0.00 H new ATOM 0 HG21 THR A 52 5.729 -5.569 -2.890 1.00 0.00 H new ATOM 0 HG22 THR A 52 4.451 -4.346 -3.084 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.537 -5.315 -1.594 1.00 0.00 H new ATOM 806 N PHE A 53 1.705 -3.721 -3.399 1.00 0.00 N ATOM 807 CA PHE A 53 1.233 -2.583 -4.245 1.00 0.00 C ATOM 808 C PHE A 53 2.443 -1.837 -4.833 1.00 0.00 C ATOM 809 O PHE A 53 3.563 -2.298 -4.718 1.00 0.00 O ATOM 810 CB PHE A 53 0.424 -1.692 -3.299 1.00 0.00 C ATOM 811 CG PHE A 53 -0.841 -2.417 -2.882 1.00 0.00 C ATOM 812 CD1 PHE A 53 -0.789 -3.404 -1.886 1.00 0.00 C ATOM 813 CD2 PHE A 53 -2.066 -2.104 -3.488 1.00 0.00 C ATOM 814 CE1 PHE A 53 -1.961 -4.074 -1.498 1.00 0.00 C ATOM 815 CE2 PHE A 53 -3.232 -2.776 -3.100 1.00 0.00 C ATOM 816 CZ PHE A 53 -3.179 -3.759 -2.107 1.00 0.00 C ATOM 0 H PHE A 53 1.914 -3.484 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 53 0.627 -2.906 -5.092 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.019 -1.441 -2.421 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.172 -0.753 -3.792 1.00 0.00 H new ATOM 0 HD1 PHE A 53 0.153 -3.649 -1.417 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.111 -1.344 -4.254 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.921 -4.832 -0.730 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -4.174 -2.534 -3.569 1.00 0.00 H new ATOM 0 HZ PHE A 53 -4.080 -4.275 -1.810 1.00 0.00 H new ATOM 826 N THR A 54 2.241 -0.694 -5.458 1.00 0.00 N ATOM 827 CA THR A 54 3.393 0.058 -6.040 1.00 0.00 C ATOM 828 C THR A 54 2.966 1.503 -6.204 1.00 0.00 C ATOM 829 O THR A 54 2.270 1.850 -7.139 1.00 0.00 O ATOM 830 CB THR A 54 3.693 -0.574 -7.408 1.00 0.00 C ATOM 831 OG1 THR A 54 3.257 -1.927 -7.436 1.00 0.00 O ATOM 832 CG2 THR A 54 5.200 -0.523 -7.670 1.00 0.00 C ATOM 0 H THR A 54 1.329 -0.256 -5.587 1.00 0.00 H new ATOM 0 HA THR A 54 4.281 0.018 -5.409 1.00 0.00 H new ATOM 0 HB THR A 54 3.161 -0.016 -8.178 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.938 -2.149 -8.335 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.416 -0.971 -8.640 1.00 0.00 H new ATOM 0 HG22 THR A 54 5.535 0.514 -7.666 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.724 -1.076 -6.890 1.00 0.00 H new ATOM 840 N VAL A 55 3.353 2.337 -5.286 1.00 0.00 N ATOM 841 CA VAL A 55 2.939 3.767 -5.361 1.00 0.00 C ATOM 842 C VAL A 55 4.082 4.648 -5.871 1.00 0.00 C ATOM 843 O VAL A 55 5.056 4.899 -5.188 1.00 0.00 O ATOM 844 CB VAL A 55 2.485 4.157 -3.936 1.00 0.00 C ATOM 845 CG1 VAL A 55 3.535 3.775 -2.889 1.00 0.00 C ATOM 846 CG2 VAL A 55 2.224 5.665 -3.864 1.00 0.00 C ATOM 0 H VAL A 55 3.938 2.094 -4.486 1.00 0.00 H new ATOM 0 HA VAL A 55 2.126 3.913 -6.072 1.00 0.00 H new ATOM 0 HB VAL A 55 1.568 3.610 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.183 4.064 -1.899 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.700 2.698 -2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.470 4.291 -3.106 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.904 5.931 -2.856 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.139 6.205 -4.109 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.443 5.933 -4.575 1.00 0.00 H new ATOM 856 N THR A 56 3.939 5.137 -7.072 1.00 0.00 N ATOM 857 CA THR A 56 4.969 6.031 -7.656 1.00 0.00 C ATOM 858 C THR A 56 4.637 7.471 -7.232 1.00 0.00 C ATOM 859 O THR A 56 3.601 7.719 -6.642 1.00 0.00 O ATOM 860 CB THR A 56 4.848 5.788 -9.183 1.00 0.00 C ATOM 861 OG1 THR A 56 5.777 4.785 -9.564 1.00 0.00 O ATOM 862 CG2 THR A 56 5.129 7.059 -9.998 1.00 0.00 C ATOM 0 H THR A 56 3.140 4.950 -7.679 1.00 0.00 H new ATOM 0 HA THR A 56 5.993 5.847 -7.330 1.00 0.00 H new ATOM 0 HB THR A 56 3.824 5.478 -9.390 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.684 5.156 -9.549 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.032 6.838 -11.061 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.414 7.834 -9.722 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.141 7.408 -9.791 1.00 0.00 H new ATOM 870 N GLU A 57 5.498 8.410 -7.521 1.00 0.00 N ATOM 871 CA GLU A 57 5.224 9.825 -7.133 1.00 0.00 C ATOM 872 C GLU A 57 5.429 10.748 -8.337 1.00 0.00 C ATOM 873 O GLU A 57 5.928 10.273 -9.344 1.00 0.00 O ATOM 874 CB GLU A 57 6.241 10.136 -6.032 1.00 0.00 C ATOM 875 CG GLU A 57 6.031 11.566 -5.523 1.00 0.00 C ATOM 876 CD GLU A 57 7.014 12.509 -6.220 1.00 0.00 C ATOM 877 OE1 GLU A 57 8.207 12.302 -6.075 1.00 0.00 O ATOM 878 OE2 GLU A 57 6.556 13.423 -6.888 1.00 0.00 O ATOM 879 OXT GLU A 57 5.084 11.914 -8.232 1.00 0.00 O ATOM 0 H GLU A 57 6.380 8.258 -8.010 1.00 0.00 H new ATOM 0 HA GLU A 57 4.199 9.973 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.130 9.428 -5.211 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.254 10.022 -6.417 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.007 11.885 -5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.178 11.604 -4.444 1.00 0.00 H new TER 886 GLU A 57