USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 742 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 46 HIS : no HD1:sc= -0.796 K(o=-1.7,f=0) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.9 K(o=-1.7,f=0) USER MOD Single : A 3 HIS : no HE2:sc= -0.291 K(o=-0.29,f=-1.2) USER MOD Single : A 4 MET CE :methyl 141:sc= -0.607 (180deg=-1.16) USER MOD Single : A 6 GLN : amide:sc= -3.55! C(o=-3.6!,f=-3!) USER MOD Single : A 11 THR OG1 : rot -54:sc= 1.07 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -1.16 K(o=-1.2,f=-2.6!) USER MOD Single : A 22 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 23 LYS NZ :NH3+ -126:sc= -0.296 (180deg=-0.658) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc=-0.00158 X(o=-0.0016,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0104 USER MOD Single : A 42 THR OG1 : rot -14:sc= 0.913 USER MOD Single : A 44 CYS SG : rot 169:sc= -1.24 USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 CYS SG : rot -3:sc= -0.645 USER MOD Single : A 51 THR OG1 : rot -17:sc= 0.225 USER MOD Single : A 55 MET CE :methyl -162:sc= -0.105 (180deg=-0.655) USER MOD Single : A 56 SER OG : rot 180:sc= -0.247 USER MOD Single : A 58 SER OG : rot -11:sc= 1.01 USER MOD Single : A 59 LYS NZ :NH3+ 142:sc= -3.24! (180deg=-6!) USER MOD Single : A 62 CYS SG : rot 32:sc= -2.44! USER MOD Single : A 68 LYS NZ :NH3+ 165:sc= -0.0513 (180deg=-0.328) USER MOD Single : A 69 ASN : amide:sc= -3.26! K(o=-3.3!,f=-0.3) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.304 USER MOD Single : A 79 LYS NZ :NH3+ 167:sc= -0.0085 (180deg=-0.202) USER MOD Single : A 80 SER OG : rot 77:sc= 0.225 USER MOD Single : A 83 LYS NZ :NH3+ -167:sc= -0.0299 (180deg=-0.312) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.67! USER MOD Single : A 86 SER OG : rot -131:sc= 1.04 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= -0.282 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 3 -21.230 8.576 -7.519 1.00 0.00 N ATOM 2 CA HIS A 3 -20.003 8.404 -6.699 1.00 0.00 C ATOM 3 C HIS A 3 -20.311 8.515 -5.209 1.00 0.00 C ATOM 4 O HIS A 3 -19.576 9.158 -4.459 1.00 0.00 O ATOM 5 CB HIS A 3 -18.988 9.475 -7.107 1.00 0.00 C ATOM 6 CG HIS A 3 -18.543 9.366 -8.532 1.00 0.00 C ATOM 7 ND1 HIS A 3 -19.410 9.442 -9.602 1.00 0.00 N ATOM 8 CD2 HIS A 3 -17.309 9.187 -9.062 1.00 0.00 C ATOM 9 CE1 HIS A 3 -18.730 9.312 -10.727 1.00 0.00 C ATOM 10 NE2 HIS A 3 -17.454 9.159 -10.426 1.00 0.00 N ATOM 0 HA HIS A 3 -19.594 7.409 -6.876 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -19.427 10.460 -6.946 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -18.116 9.404 -6.456 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -20.419 9.577 -9.535 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -16.384 9.085 -8.513 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -19.147 9.328 -11.723 1.00 0.00 H new ATOM 21 N MET A 4 -21.400 7.882 -4.785 1.00 0.00 N ATOM 22 CA MET A 4 -21.800 7.908 -3.383 1.00 0.00 C ATOM 23 C MET A 4 -20.761 7.212 -2.511 1.00 0.00 C ATOM 24 O MET A 4 -20.372 7.724 -1.462 1.00 0.00 O ATOM 25 CB MET A 4 -23.168 7.245 -3.198 1.00 0.00 C ATOM 26 CG MET A 4 -24.319 8.015 -3.830 1.00 0.00 C ATOM 27 SD MET A 4 -24.192 8.125 -5.626 1.00 0.00 S ATOM 28 CE MET A 4 -24.208 6.391 -6.075 1.00 0.00 C ATOM 0 H MET A 4 -22.020 7.345 -5.391 1.00 0.00 H new ATOM 0 HA MET A 4 -21.872 8.951 -3.074 1.00 0.00 H new ATOM 0 HB2 MET A 4 -23.136 6.243 -3.626 1.00 0.00 H new ATOM 0 HB3 MET A 4 -23.363 7.130 -2.132 1.00 0.00 H new ATOM 0 HG2 MET A 4 -25.260 7.532 -3.567 1.00 0.00 H new ATOM 0 HG3 MET A 4 -24.349 9.021 -3.411 1.00 0.00 H new ATOM 0 HE1 MET A 4 -24.797 6.255 -6.982 1.00 0.00 H new ATOM 0 HE2 MET A 4 -23.187 6.051 -6.251 1.00 0.00 H new ATOM 0 HE3 MET A 4 -24.649 5.810 -5.265 1.00 0.00 H new ATOM 38 N ARG A 5 -20.316 6.040 -2.954 1.00 0.00 N ATOM 39 CA ARG A 5 -19.319 5.270 -2.218 1.00 0.00 C ATOM 40 C ARG A 5 -18.003 6.036 -2.122 1.00 0.00 C ATOM 41 O ARG A 5 -17.470 6.501 -3.129 1.00 0.00 O ATOM 42 CB ARG A 5 -19.087 3.920 -2.901 1.00 0.00 C ATOM 43 CG ARG A 5 -18.076 3.039 -2.184 1.00 0.00 C ATOM 44 CD ARG A 5 -18.574 2.620 -0.809 1.00 0.00 C ATOM 45 NE ARG A 5 -19.806 1.837 -0.881 1.00 0.00 N ATOM 46 CZ ARG A 5 -19.902 0.658 -1.493 1.00 0.00 C ATOM 47 NH1 ARG A 5 -18.838 0.114 -2.072 1.00 0.00 N ATOM 48 NH2 ARG A 5 -21.062 0.018 -1.521 1.00 0.00 N ATOM 0 H ARG A 5 -20.631 5.602 -3.820 1.00 0.00 H new ATOM 0 HA ARG A 5 -19.695 5.102 -1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -20.036 3.389 -2.968 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -18.746 4.093 -3.922 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -17.875 2.152 -2.785 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -17.133 3.575 -2.082 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -17.803 2.035 -0.308 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -18.745 3.508 -0.201 1.00 0.00 H new ATOM 0 HE ARG A 5 -20.642 2.216 -0.436 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -17.941 0.599 -2.050 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.918 -0.789 -2.539 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -21.882 0.428 -1.074 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -21.135 -0.885 -1.990 1.00 0.00 H new ATOM 62 N GLN A 6 -17.484 6.166 -0.904 1.00 0.00 N ATOM 63 CA GLN A 6 -16.231 6.878 -0.682 1.00 0.00 C ATOM 64 C GLN A 6 -15.030 6.016 -1.082 1.00 0.00 C ATOM 65 O GLN A 6 -14.918 4.863 -0.665 1.00 0.00 O ATOM 66 CB GLN A 6 -16.109 7.310 0.786 1.00 0.00 C ATOM 67 CG GLN A 6 -15.980 6.157 1.773 1.00 0.00 C ATOM 68 CD GLN A 6 -17.212 5.274 1.821 1.00 0.00 C ATOM 69 OE1 GLN A 6 -18.314 5.740 2.112 1.00 0.00 O ATOM 70 NE2 GLN A 6 -17.030 3.989 1.539 1.00 0.00 N ATOM 0 H GLN A 6 -17.911 5.788 -0.058 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.236 7.769 -1.310 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -15.240 7.960 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -16.984 7.903 1.051 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -15.116 5.550 1.503 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.789 6.558 2.768 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -16.099 3.646 1.303 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -17.821 3.346 1.559 1.00 0.00 H new ATOM 79 N PRO A 7 -14.112 6.567 -1.900 1.00 0.00 N ATOM 80 CA PRO A 7 -12.918 5.847 -2.351 1.00 0.00 C ATOM 81 C PRO A 7 -11.863 5.724 -1.252 1.00 0.00 C ATOM 82 O PRO A 7 -11.743 6.602 -0.398 1.00 0.00 O ATOM 83 CB PRO A 7 -12.398 6.712 -3.498 1.00 0.00 C ATOM 84 CG PRO A 7 -12.843 8.091 -3.156 1.00 0.00 C ATOM 85 CD PRO A 7 -14.164 7.939 -2.448 1.00 0.00 C ATOM 0 HA PRO A 7 -13.145 4.821 -2.641 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.313 6.654 -3.579 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -12.807 6.389 -4.456 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -12.113 8.589 -2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.949 8.700 -4.054 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -14.283 8.681 -1.659 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -15.002 8.065 -3.133 1.00 0.00 H new ATOM 93 N PRO A 8 -11.079 4.630 -1.260 1.00 0.00 N ATOM 94 CA PRO A 8 -10.028 4.402 -0.261 1.00 0.00 C ATOM 95 C PRO A 8 -8.985 5.513 -0.264 1.00 0.00 C ATOM 96 O PRO A 8 -8.631 6.041 -1.318 1.00 0.00 O ATOM 97 CB PRO A 8 -9.395 3.071 -0.687 1.00 0.00 C ATOM 98 CG PRO A 8 -9.798 2.886 -2.110 1.00 0.00 C ATOM 99 CD PRO A 8 -11.145 3.536 -2.244 1.00 0.00 C ATOM 0 HA PRO A 8 -10.430 4.384 0.752 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.310 3.100 -0.585 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.751 2.249 -0.066 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -9.074 3.345 -2.784 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.847 1.828 -2.368 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -11.315 3.910 -3.254 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.954 2.840 -2.021 1.00 0.00 H new ATOM 107 N LEU A 9 -8.498 5.864 0.921 1.00 0.00 N ATOM 108 CA LEU A 9 -7.495 6.915 1.054 1.00 0.00 C ATOM 109 C LEU A 9 -6.459 6.534 2.104 1.00 0.00 C ATOM 110 O LEU A 9 -6.787 6.329 3.273 1.00 0.00 O ATOM 111 CB LEU A 9 -8.179 8.243 1.418 1.00 0.00 C ATOM 112 CG LEU A 9 -7.262 9.471 1.554 1.00 0.00 C ATOM 113 CD1 LEU A 9 -6.503 9.450 2.875 1.00 0.00 C ATOM 114 CD2 LEU A 9 -6.290 9.552 0.385 1.00 0.00 C ATOM 0 H LEU A 9 -8.781 5.437 1.803 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.979 7.037 0.102 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.930 8.460 0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.709 8.107 2.360 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.894 10.359 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -5.864 10.330 2.941 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -7.213 9.454 3.702 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -5.889 8.551 2.928 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.652 10.428 0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.673 8.654 0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.848 9.632 -0.548 1.00 0.00 H new ATOM 126 N VAL A 10 -5.204 6.446 1.675 1.00 0.00 N ATOM 127 CA VAL A 10 -4.108 6.094 2.567 1.00 0.00 C ATOM 128 C VAL A 10 -3.602 7.319 3.320 1.00 0.00 C ATOM 129 O VAL A 10 -3.543 8.417 2.768 1.00 0.00 O ATOM 130 CB VAL A 10 -2.942 5.451 1.791 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.835 5.016 2.741 1.00 0.00 C ATOM 132 CG2 VAL A 10 -3.444 4.274 0.969 1.00 0.00 C ATOM 0 H VAL A 10 -4.921 6.615 0.710 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.495 5.370 3.284 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.526 6.195 1.111 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -1.023 4.565 2.171 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.459 5.884 3.284 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -2.229 4.288 3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -2.611 3.828 0.425 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.885 3.529 1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -4.196 4.620 0.260 1.00 0.00 H new ATOM 142 N THR A 11 -3.239 7.124 4.585 1.00 0.00 N ATOM 143 CA THR A 11 -2.743 8.218 5.411 1.00 0.00 C ATOM 144 C THR A 11 -2.121 7.699 6.708 1.00 0.00 C ATOM 145 O THR A 11 -2.427 8.184 7.797 1.00 0.00 O ATOM 146 CB THR A 11 -3.866 9.217 5.742 1.00 0.00 C ATOM 147 OG1 THR A 11 -3.371 10.255 6.596 1.00 0.00 O ATOM 148 CG2 THR A 11 -5.025 8.505 6.411 1.00 0.00 C ATOM 0 H THR A 11 -3.279 6.221 5.058 1.00 0.00 H new ATOM 0 HA THR A 11 -1.973 8.730 4.834 1.00 0.00 H new ATOM 0 HB THR A 11 -4.217 9.663 4.812 1.00 0.00 H new ATOM 0 HG1 THR A 11 -2.953 9.856 7.388 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.811 9.225 6.639 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.417 7.739 5.742 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.681 8.038 7.334 1.00 0.00 H new ATOM 156 N GLY A 12 -1.242 6.709 6.581 1.00 0.00 N ATOM 157 CA GLY A 12 -0.588 6.143 7.747 1.00 0.00 C ATOM 158 C GLY A 12 0.427 5.076 7.388 1.00 0.00 C ATOM 159 O GLY A 12 0.183 4.242 6.516 1.00 0.00 O ATOM 0 H GLY A 12 -0.971 6.289 5.692 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.091 6.939 8.302 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.341 5.715 8.409 1.00 0.00 H new ATOM 163 N ILE A 13 1.566 5.106 8.070 1.00 0.00 N ATOM 164 CA ILE A 13 2.632 4.137 7.832 1.00 0.00 C ATOM 165 C ILE A 13 3.647 4.166 8.969 1.00 0.00 C ATOM 166 O ILE A 13 4.118 5.234 9.363 1.00 0.00 O ATOM 167 CB ILE A 13 3.350 4.408 6.491 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.444 3.364 6.248 1.00 0.00 C ATOM 169 CG2 ILE A 13 3.933 5.816 6.469 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.087 3.467 4.881 1.00 0.00 C ATOM 0 H ILE A 13 1.776 5.792 8.794 1.00 0.00 H new ATOM 0 HA ILE A 13 2.171 3.150 7.785 1.00 0.00 H new ATOM 0 HB ILE A 13 2.618 4.331 5.687 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.214 3.472 7.012 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.017 2.368 6.365 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.434 5.987 5.516 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.131 6.544 6.593 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.651 5.925 7.282 1.00 0.00 H new ATOM 0 HD11 ILE A 13 5.852 2.697 4.780 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.328 3.328 4.111 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.544 4.450 4.767 1.00 0.00 H new ATOM 182 N SER A 14 3.983 2.993 9.500 1.00 0.00 N ATOM 183 CA SER A 14 4.943 2.914 10.594 1.00 0.00 C ATOM 184 C SER A 14 6.330 3.365 10.130 1.00 0.00 C ATOM 185 O SER A 14 6.879 4.325 10.670 1.00 0.00 O ATOM 186 CB SER A 14 4.994 1.498 11.179 1.00 0.00 C ATOM 187 OG SER A 14 5.919 1.423 12.250 1.00 0.00 O ATOM 0 H SER A 14 3.609 2.095 9.194 1.00 0.00 H new ATOM 0 HA SER A 14 4.613 3.589 11.383 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.003 1.210 11.529 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.276 0.789 10.400 1.00 0.00 H new ATOM 0 HG SER A 14 5.932 0.511 12.608 1.00 0.00 H new ATOM 193 N PRO A 15 6.924 2.698 9.113 1.00 0.00 N ATOM 194 CA PRO A 15 8.235 3.071 8.603 1.00 0.00 C ATOM 195 C PRO A 15 8.143 4.080 7.464 1.00 0.00 C ATOM 196 O PRO A 15 7.676 3.755 6.374 1.00 0.00 O ATOM 197 CB PRO A 15 8.777 1.740 8.097 1.00 0.00 C ATOM 198 CG PRO A 15 7.571 1.001 7.610 1.00 0.00 C ATOM 199 CD PRO A 15 6.379 1.541 8.374 1.00 0.00 C ATOM 0 HA PRO A 15 8.859 3.554 9.355 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.502 1.886 7.296 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.284 1.191 8.891 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.438 1.144 6.538 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.682 -0.070 7.777 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.575 1.840 7.701 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.966 0.793 9.051 1.00 0.00 H new ATOM 207 N ASN A 16 8.594 5.305 7.716 1.00 0.00 N ATOM 208 CA ASN A 16 8.558 6.346 6.695 1.00 0.00 C ATOM 209 C ASN A 16 9.839 6.330 5.867 1.00 0.00 C ATOM 210 O ASN A 16 10.246 7.350 5.312 1.00 0.00 O ATOM 211 CB ASN A 16 8.367 7.719 7.343 1.00 0.00 C ATOM 212 CG ASN A 16 7.187 7.751 8.293 1.00 0.00 C ATOM 213 OD1 ASN A 16 6.046 7.523 7.893 1.00 0.00 O ATOM 214 ND2 ASN A 16 7.456 8.035 9.561 1.00 0.00 N ATOM 0 H ASN A 16 8.986 5.599 8.611 1.00 0.00 H new ATOM 0 HA ASN A 16 7.715 6.149 6.033 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.273 7.991 7.884 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.223 8.468 6.564 1.00 0.00 H new ATOM 0 HD21 ASN A 16 6.702 8.071 10.247 1.00 0.00 H new ATOM 0 HD22 ASN A 16 8.417 8.218 9.850 1.00 0.00 H new ATOM 221 N GLU A 17 10.462 5.154 5.790 1.00 0.00 N ATOM 222 CA GLU A 17 11.698 4.971 5.035 1.00 0.00 C ATOM 223 C GLU A 17 12.218 3.548 5.210 1.00 0.00 C ATOM 224 O GLU A 17 12.288 3.038 6.328 1.00 0.00 O ATOM 225 CB GLU A 17 12.764 5.975 5.490 1.00 0.00 C ATOM 226 CG GLU A 17 13.087 5.892 6.973 1.00 0.00 C ATOM 227 CD GLU A 17 14.135 6.903 7.398 1.00 0.00 C ATOM 228 OE1 GLU A 17 15.264 6.847 6.869 1.00 0.00 O ATOM 229 OE2 GLU A 17 13.824 7.751 8.260 1.00 0.00 O ATOM 0 H GLU A 17 10.125 4.307 6.247 1.00 0.00 H new ATOM 0 HA GLU A 17 11.483 5.145 3.981 1.00 0.00 H new ATOM 0 HB2 GLU A 17 13.677 5.807 4.918 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.423 6.984 5.257 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.176 6.054 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.439 4.888 7.209 1.00 0.00 H new ATOM 236 N GLY A 18 12.575 2.906 4.103 1.00 0.00 N ATOM 237 CA GLY A 18 13.075 1.545 4.176 1.00 0.00 C ATOM 238 C GLY A 18 13.289 0.921 2.811 1.00 0.00 C ATOM 239 O GLY A 18 12.526 1.171 1.878 1.00 0.00 O ATOM 0 H GLY A 18 12.528 3.300 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.017 1.538 4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.372 0.935 4.743 1.00 0.00 H new ATOM 243 N ILE A 19 14.332 0.103 2.699 1.00 0.00 N ATOM 244 CA ILE A 19 14.653 -0.569 1.446 1.00 0.00 C ATOM 245 C ILE A 19 13.468 -1.401 0.950 1.00 0.00 C ATOM 246 O ILE A 19 12.561 -1.716 1.719 1.00 0.00 O ATOM 247 CB ILE A 19 15.891 -1.477 1.596 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.657 -2.528 2.684 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.122 -0.636 1.910 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.811 -3.493 2.859 1.00 0.00 C ATOM 0 H ILE A 19 14.971 -0.110 3.465 1.00 0.00 H new ATOM 0 HA ILE A 19 14.875 0.207 0.714 1.00 0.00 H new ATOM 0 HB ILE A 19 16.060 -1.999 0.654 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.472 -2.022 3.631 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.756 -3.093 2.443 1.00 0.00 H new ATOM 0 HG21 ILE A 19 17.990 -1.287 2.014 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.295 0.073 1.100 1.00 0.00 H new ATOM 0 HG23 ILE A 19 16.963 -0.092 2.841 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.572 -4.207 3.647 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.983 -4.027 1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.710 -2.940 3.132 1.00 0.00 H new ATOM 262 N PRO A 20 13.451 -1.752 -0.351 1.00 0.00 N ATOM 263 CA PRO A 20 12.362 -2.533 -0.950 1.00 0.00 C ATOM 264 C PRO A 20 11.964 -3.758 -0.126 1.00 0.00 C ATOM 265 O PRO A 20 10.781 -4.024 0.069 1.00 0.00 O ATOM 266 CB PRO A 20 12.943 -2.963 -2.295 1.00 0.00 C ATOM 267 CG PRO A 20 13.904 -1.882 -2.649 1.00 0.00 C ATOM 268 CD PRO A 20 14.483 -1.398 -1.347 1.00 0.00 C ATOM 0 HA PRO A 20 11.445 -1.947 -1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.442 -3.929 -2.221 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.163 -3.064 -3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.687 -2.257 -3.309 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.402 -1.072 -3.178 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.434 -1.883 -1.127 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.669 -0.324 -1.366 1.00 0.00 H new ATOM 276 N TRP A 21 12.946 -4.512 0.350 1.00 0.00 N ATOM 277 CA TRP A 21 12.664 -5.709 1.136 1.00 0.00 C ATOM 278 C TRP A 21 12.033 -5.374 2.486 1.00 0.00 C ATOM 279 O TRP A 21 11.367 -6.216 3.088 1.00 0.00 O ATOM 280 CB TRP A 21 13.929 -6.545 1.329 1.00 0.00 C ATOM 281 CG TRP A 21 14.390 -7.204 0.066 1.00 0.00 C ATOM 282 CD1 TRP A 21 15.545 -6.958 -0.619 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.691 -8.211 -0.675 1.00 0.00 C ATOM 284 NE1 TRP A 21 15.611 -7.758 -1.735 1.00 0.00 N ATOM 285 CE2 TRP A 21 14.483 -8.535 -1.792 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.471 -8.872 -0.500 1.00 0.00 C ATOM 287 CZ2 TRP A 21 14.096 -9.491 -2.728 1.00 0.00 C ATOM 288 CZ3 TRP A 21 12.086 -9.820 -1.429 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.896 -10.121 -2.531 1.00 0.00 C ATOM 0 H TRP A 21 13.938 -4.320 0.208 1.00 0.00 H new ATOM 0 HA TRP A 21 11.939 -6.297 0.573 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.725 -5.907 1.711 1.00 0.00 H new ATOM 0 HB3 TRP A 21 13.742 -7.309 2.084 1.00 0.00 H new ATOM 0 HD1 TRP A 21 16.297 -6.240 -0.327 1.00 0.00 H new ATOM 0 HE1 TRP A 21 16.375 -7.771 -2.411 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.840 -8.645 0.347 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 14.719 -9.727 -3.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.146 -10.337 -1.303 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.567 -10.866 -3.241 1.00 0.00 H new ATOM 300 N THR A 22 12.241 -4.149 2.960 1.00 0.00 N ATOM 301 CA THR A 22 11.681 -3.732 4.242 1.00 0.00 C ATOM 302 C THR A 22 10.156 -3.762 4.212 1.00 0.00 C ATOM 303 O THR A 22 9.530 -3.185 3.322 1.00 0.00 O ATOM 304 CB THR A 22 12.146 -2.316 4.634 1.00 0.00 C ATOM 305 OG1 THR A 22 13.570 -2.291 4.781 1.00 0.00 O ATOM 306 CG2 THR A 22 11.492 -1.867 5.933 1.00 0.00 C ATOM 0 H THR A 22 12.788 -3.433 2.481 1.00 0.00 H new ATOM 0 HA THR A 22 12.044 -4.441 4.986 1.00 0.00 H new ATOM 0 HB THR A 22 11.848 -1.630 3.841 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.858 -1.387 5.028 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.837 -0.865 6.187 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.409 -1.858 5.811 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.761 -2.557 6.733 1.00 0.00 H new ATOM 314 N LYS A 23 9.565 -4.432 5.196 1.00 0.00 N ATOM 315 CA LYS A 23 8.114 -4.535 5.293 1.00 0.00 C ATOM 316 C LYS A 23 7.511 -3.212 5.758 1.00 0.00 C ATOM 317 O LYS A 23 8.042 -2.560 6.656 1.00 0.00 O ATOM 318 CB LYS A 23 7.727 -5.658 6.258 1.00 0.00 C ATOM 319 CG LYS A 23 6.225 -5.831 6.430 1.00 0.00 C ATOM 320 CD LYS A 23 5.898 -6.948 7.409 1.00 0.00 C ATOM 321 CE LYS A 23 6.378 -8.299 6.903 1.00 0.00 C ATOM 322 NZ LYS A 23 5.734 -8.668 5.612 1.00 0.00 N ATOM 0 H LYS A 23 10.071 -4.913 5.940 1.00 0.00 H new ATOM 0 HA LYS A 23 7.719 -4.767 4.304 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.152 -6.595 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.174 -5.457 7.232 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.789 -4.897 6.784 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.770 -6.049 5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.362 -6.735 8.372 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.821 -6.983 7.574 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.460 -8.275 6.775 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.162 -9.064 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.292 -9.605 5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.007 -7.964 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.452 -8.693 4.860 1.00 0.00 H new ATOM 336 N VAL A 24 6.398 -2.822 5.143 1.00 0.00 N ATOM 337 CA VAL A 24 5.728 -1.579 5.501 1.00 0.00 C ATOM 338 C VAL A 24 4.229 -1.799 5.689 1.00 0.00 C ATOM 339 O VAL A 24 3.549 -2.318 4.805 1.00 0.00 O ATOM 340 CB VAL A 24 5.960 -0.485 4.434 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.441 -0.162 4.317 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.398 -0.911 3.087 1.00 0.00 C ATOM 0 H VAL A 24 5.943 -3.348 4.397 1.00 0.00 H new ATOM 0 HA VAL A 24 6.159 -1.243 6.444 1.00 0.00 H new ATOM 0 HB VAL A 24 5.433 0.415 4.750 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.586 0.610 3.561 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.812 0.196 5.277 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.987 -1.060 4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.574 -0.124 2.354 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.890 -1.827 2.761 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.326 -1.088 3.179 1.00 0.00 H new ATOM 352 N THR A 25 3.722 -1.408 6.853 1.00 0.00 N ATOM 353 CA THR A 25 2.306 -1.570 7.154 1.00 0.00 C ATOM 354 C THR A 25 1.495 -0.395 6.624 1.00 0.00 C ATOM 355 O THR A 25 1.699 0.747 7.035 1.00 0.00 O ATOM 356 CB THR A 25 2.065 -1.703 8.671 1.00 0.00 C ATOM 357 OG1 THR A 25 2.795 -2.822 9.186 1.00 0.00 O ATOM 358 CG2 THR A 25 0.583 -1.876 8.973 1.00 0.00 C ATOM 0 H THR A 25 4.268 -0.979 7.600 1.00 0.00 H new ATOM 0 HA THR A 25 1.980 -2.486 6.660 1.00 0.00 H new ATOM 0 HB THR A 25 2.412 -0.789 9.152 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.638 -2.899 10.150 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.439 -1.968 10.050 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.033 -1.009 8.606 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.214 -2.775 8.480 1.00 0.00 H new ATOM 366 N ILE A 26 0.568 -0.684 5.719 1.00 0.00 N ATOM 367 CA ILE A 26 -0.280 0.351 5.146 1.00 0.00 C ATOM 368 C ILE A 26 -1.469 0.630 6.058 1.00 0.00 C ATOM 369 O ILE A 26 -2.082 -0.294 6.591 1.00 0.00 O ATOM 370 CB ILE A 26 -0.795 -0.045 3.746 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.383 -0.328 2.809 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.679 1.057 3.177 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.035 -0.752 1.415 1.00 0.00 C ATOM 0 H ILE A 26 0.385 -1.624 5.368 1.00 0.00 H new ATOM 0 HA ILE A 26 0.329 1.250 5.049 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.391 -0.953 3.835 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.001 0.567 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 26 1.004 -1.110 3.246 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.035 0.764 2.189 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.531 1.217 3.837 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.104 1.980 3.097 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.852 -0.935 0.809 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.628 -1.665 1.475 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.630 0.038 0.958 1.00 0.00 H new ATOM 385 N ARG A 27 -1.790 1.907 6.238 1.00 0.00 N ATOM 386 CA ARG A 27 -2.907 2.293 7.090 1.00 0.00 C ATOM 387 C ARG A 27 -3.572 3.564 6.570 1.00 0.00 C ATOM 388 O ARG A 27 -2.897 4.519 6.190 1.00 0.00 O ATOM 389 CB ARG A 27 -2.431 2.493 8.528 1.00 0.00 C ATOM 390 CG ARG A 27 -3.555 2.798 9.504 1.00 0.00 C ATOM 391 CD ARG A 27 -3.070 2.742 10.942 1.00 0.00 C ATOM 392 NE ARG A 27 -2.013 3.714 11.204 1.00 0.00 N ATOM 393 CZ ARG A 27 -1.408 3.845 12.381 1.00 0.00 C ATOM 394 NH1 ARG A 27 -1.748 3.065 13.398 1.00 0.00 N ATOM 395 NH2 ARG A 27 -0.459 4.757 12.540 1.00 0.00 N ATOM 0 H ARG A 27 -1.295 2.688 5.807 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.644 1.491 7.072 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.909 1.595 8.857 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.708 3.309 8.553 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -3.963 3.787 9.294 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -4.365 2.083 9.363 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -3.908 2.928 11.614 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -2.702 1.740 11.161 1.00 0.00 H new ATOM 0 HE ARG A 27 -1.722 4.327 10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.476 2.361 13.279 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -1.281 3.169 14.299 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.193 5.358 11.760 1.00 0.00 H new ATOM 0 HH22 ARG A 27 0.005 4.858 13.443 1.00 0.00 H new ATOM 409 N GLY A 28 -4.901 3.559 6.552 1.00 0.00 N ATOM 410 CA GLY A 28 -5.646 4.708 6.072 1.00 0.00 C ATOM 411 C GLY A 28 -7.121 4.614 6.405 1.00 0.00 C ATOM 412 O GLY A 28 -7.490 4.420 7.565 1.00 0.00 O ATOM 0 H GLY A 28 -5.477 2.777 6.863 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.233 5.616 6.512 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.524 4.793 4.992 1.00 0.00 H new ATOM 416 N GLU A 29 -7.969 4.753 5.391 1.00 0.00 N ATOM 417 CA GLU A 29 -9.413 4.683 5.588 1.00 0.00 C ATOM 418 C GLU A 29 -10.105 4.033 4.394 1.00 0.00 C ATOM 419 O GLU A 29 -9.817 4.356 3.241 1.00 0.00 O ATOM 420 CB GLU A 29 -9.987 6.084 5.815 1.00 0.00 C ATOM 421 CG GLU A 29 -9.427 6.783 7.044 1.00 0.00 C ATOM 422 CD GLU A 29 -10.011 8.167 7.246 1.00 0.00 C ATOM 423 OE1 GLU A 29 -9.853 9.015 6.343 1.00 0.00 O ATOM 424 OE2 GLU A 29 -10.627 8.402 8.306 1.00 0.00 O ATOM 0 H GLU A 29 -7.682 4.915 4.426 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.597 4.068 6.469 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.785 6.696 4.936 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -11.070 6.012 5.911 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.629 6.175 7.926 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -8.344 6.860 6.951 1.00 0.00 H new ATOM 431 N ASN A 30 -11.029 3.121 4.688 1.00 0.00 N ATOM 432 CA ASN A 30 -11.789 2.418 3.657 1.00 0.00 C ATOM 433 C ASN A 30 -10.885 1.603 2.732 1.00 0.00 C ATOM 434 O ASN A 30 -11.088 1.579 1.518 1.00 0.00 O ATOM 435 CB ASN A 30 -12.615 3.413 2.839 1.00 0.00 C ATOM 436 CG ASN A 30 -13.623 4.165 3.687 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.508 3.564 4.296 1.00 0.00 O ATOM 438 ND2 ASN A 30 -13.494 5.486 3.729 1.00 0.00 N ATOM 0 H ASN A 30 -11.271 2.850 5.641 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.456 1.720 4.163 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.946 4.126 2.357 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -13.138 2.880 2.045 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -14.144 6.045 4.282 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.745 5.942 3.208 1.00 0.00 H new ATOM 445 N LEU A 31 -9.899 0.920 3.309 1.00 0.00 N ATOM 446 CA LEU A 31 -8.984 0.090 2.526 1.00 0.00 C ATOM 447 C LEU A 31 -9.582 -1.293 2.272 1.00 0.00 C ATOM 448 O LEU A 31 -8.968 -2.313 2.586 1.00 0.00 O ATOM 449 CB LEU A 31 -7.626 -0.045 3.226 1.00 0.00 C ATOM 450 CG LEU A 31 -6.675 1.145 3.053 1.00 0.00 C ATOM 451 CD1 LEU A 31 -7.262 2.404 3.667 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.318 0.836 3.667 1.00 0.00 C ATOM 0 H LEU A 31 -9.713 0.924 4.312 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.831 0.585 1.567 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.799 -0.198 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.131 -0.941 2.852 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.542 1.319 1.985 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.568 3.233 3.531 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.208 2.639 3.180 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.432 2.244 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.656 1.692 3.535 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.438 0.631 4.731 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.886 -0.036 3.176 1.00 0.00 H new ATOM 464 N GLY A 32 -10.783 -1.319 1.699 1.00 0.00 N ATOM 465 CA GLY A 32 -11.446 -2.581 1.409 1.00 0.00 C ATOM 466 C GLY A 32 -12.163 -3.158 2.615 1.00 0.00 C ATOM 467 O GLY A 32 -11.612 -3.196 3.715 1.00 0.00 O ATOM 0 H GLY A 32 -11.310 -0.488 1.430 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -12.163 -2.432 0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.709 -3.300 1.052 1.00 0.00 H new ATOM 471 N THR A 33 -13.398 -3.608 2.405 1.00 0.00 N ATOM 472 CA THR A 33 -14.201 -4.185 3.479 1.00 0.00 C ATOM 473 C THR A 33 -13.622 -5.509 3.964 1.00 0.00 C ATOM 474 O THR A 33 -13.598 -5.781 5.165 1.00 0.00 O ATOM 475 CB THR A 33 -15.659 -4.411 3.034 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.697 -5.287 1.902 1.00 0.00 O ATOM 477 CG2 THR A 33 -16.330 -3.090 2.682 1.00 0.00 C ATOM 0 H THR A 33 -13.865 -3.584 1.498 1.00 0.00 H new ATOM 0 HA THR A 33 -14.182 -3.466 4.298 1.00 0.00 H new ATOM 0 HB THR A 33 -16.201 -4.866 3.863 1.00 0.00 H new ATOM 0 HG1 THR A 33 -16.627 -5.426 1.627 1.00 0.00 H new ATOM 0 HG21 THR A 33 -17.358 -3.276 2.371 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.327 -2.437 3.554 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.786 -2.611 1.868 1.00 0.00 H new ATOM 485 N GLY A 34 -13.158 -6.331 3.029 1.00 0.00 N ATOM 486 CA GLY A 34 -12.590 -7.616 3.393 1.00 0.00 C ATOM 487 C GLY A 34 -11.633 -8.152 2.346 1.00 0.00 C ATOM 488 O GLY A 34 -11.383 -7.491 1.337 1.00 0.00 O ATOM 0 H GLY A 34 -13.165 -6.132 2.029 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -12.065 -7.520 4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.395 -8.335 3.545 1.00 0.00 H new ATOM 492 N PRO A 35 -11.077 -9.360 2.557 1.00 0.00 N ATOM 493 CA PRO A 35 -10.139 -9.975 1.612 1.00 0.00 C ATOM 494 C PRO A 35 -10.748 -10.136 0.225 1.00 0.00 C ATOM 495 O PRO A 35 -10.082 -9.910 -0.785 1.00 0.00 O ATOM 496 CB PRO A 35 -9.835 -11.347 2.230 1.00 0.00 C ATOM 497 CG PRO A 35 -10.915 -11.579 3.230 1.00 0.00 C ATOM 498 CD PRO A 35 -11.317 -10.221 3.727 1.00 0.00 C ATOM 0 HA PRO A 35 -9.250 -9.362 1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -9.829 -12.128 1.470 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.853 -11.356 2.703 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -11.762 -12.095 2.777 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -10.561 -12.205 4.049 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.361 -10.197 4.039 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -10.721 -9.912 4.586 1.00 0.00 H new ATOM 506 N THR A 36 -12.019 -10.524 0.182 1.00 0.00 N ATOM 507 CA THR A 36 -12.715 -10.711 -1.083 1.00 0.00 C ATOM 508 C THR A 36 -12.746 -9.415 -1.886 1.00 0.00 C ATOM 509 O THR A 36 -12.550 -9.424 -3.099 1.00 0.00 O ATOM 510 CB THR A 36 -14.160 -11.198 -0.866 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.899 -10.225 -0.119 1.00 0.00 O ATOM 512 CG2 THR A 36 -14.178 -12.528 -0.130 1.00 0.00 C ATOM 0 H THR A 36 -12.586 -10.714 1.008 1.00 0.00 H new ATOM 0 HA THR A 36 -12.164 -11.471 -1.637 1.00 0.00 H new ATOM 0 HB THR A 36 -14.624 -11.334 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.817 -10.542 0.013 1.00 0.00 H new ATOM 0 HG21 THR A 36 -15.209 -12.852 0.012 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.640 -13.275 -0.715 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.697 -12.413 0.841 1.00 0.00 H new ATOM 520 N ASP A 37 -12.987 -8.301 -1.198 1.00 0.00 N ATOM 521 CA ASP A 37 -13.039 -6.994 -1.847 1.00 0.00 C ATOM 522 C ASP A 37 -11.669 -6.597 -2.379 1.00 0.00 C ATOM 523 O ASP A 37 -11.541 -6.158 -3.520 1.00 0.00 O ATOM 524 CB ASP A 37 -13.547 -5.932 -0.869 1.00 0.00 C ATOM 525 CG ASP A 37 -13.663 -4.565 -1.513 1.00 0.00 C ATOM 526 OD1 ASP A 37 -14.432 -4.432 -2.489 1.00 0.00 O ATOM 527 OD2 ASP A 37 -12.986 -3.627 -1.043 1.00 0.00 O ATOM 0 H ASP A 37 -13.149 -8.278 -0.191 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.730 -7.062 -2.687 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.521 -6.233 -0.483 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.870 -5.873 -0.016 1.00 0.00 H new ATOM 532 N LEU A 38 -10.643 -6.757 -1.551 1.00 0.00 N ATOM 533 CA LEU A 38 -9.287 -6.415 -1.955 1.00 0.00 C ATOM 534 C LEU A 38 -8.783 -7.398 -3.004 1.00 0.00 C ATOM 535 O LEU A 38 -8.849 -8.613 -2.816 1.00 0.00 O ATOM 536 CB LEU A 38 -8.354 -6.388 -0.735 1.00 0.00 C ATOM 537 CG LEU A 38 -6.899 -5.967 -1.004 1.00 0.00 C ATOM 538 CD1 LEU A 38 -6.105 -7.104 -1.627 1.00 0.00 C ATOM 539 CD2 LEU A 38 -6.846 -4.730 -1.895 1.00 0.00 C ATOM 0 H LEU A 38 -10.725 -7.119 -0.601 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.295 -5.419 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.777 -5.708 0.005 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.346 -7.382 -0.287 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.444 -5.720 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.081 -6.777 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.100 -7.958 -0.950 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.564 -7.393 -2.573 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.807 -4.452 -2.071 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.330 -4.947 -2.848 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.364 -3.906 -1.404 1.00 0.00 H new ATOM 551 N ILE A 39 -8.274 -6.859 -4.106 1.00 0.00 N ATOM 552 CA ILE A 39 -7.749 -7.673 -5.196 1.00 0.00 C ATOM 553 C ILE A 39 -6.600 -6.956 -5.888 1.00 0.00 C ATOM 554 O ILE A 39 -5.757 -7.581 -6.528 1.00 0.00 O ATOM 555 CB ILE A 39 -8.828 -8.001 -6.252 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.360 -6.714 -6.889 1.00 0.00 C ATOM 557 CG2 ILE A 39 -9.961 -8.807 -5.630 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.282 -6.952 -8.066 1.00 0.00 C ATOM 0 H ILE A 39 -8.214 -5.854 -4.269 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.403 -8.606 -4.750 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.373 -8.608 -7.035 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.893 -6.138 -6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.517 -6.106 -7.217 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.710 -9.028 -6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -9.566 -9.740 -5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.419 -8.231 -4.826 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -10.618 -5.995 -8.464 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.748 -7.500 -8.842 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.145 -7.533 -7.740 1.00 0.00 H new ATOM 570 N GLY A 40 -6.581 -5.633 -5.759 1.00 0.00 N ATOM 571 CA GLY A 40 -5.535 -4.845 -6.382 1.00 0.00 C ATOM 572 C GLY A 40 -4.783 -3.977 -5.392 1.00 0.00 C ATOM 573 O GLY A 40 -5.390 -3.233 -4.623 1.00 0.00 O ATOM 0 H GLY A 40 -7.270 -5.094 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -4.832 -5.512 -6.880 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.974 -4.212 -7.153 1.00 0.00 H new ATOM 577 N LEU A 41 -3.454 -4.070 -5.415 1.00 0.00 N ATOM 578 CA LEU A 41 -2.618 -3.278 -4.518 1.00 0.00 C ATOM 579 C LEU A 41 -1.266 -2.987 -5.163 1.00 0.00 C ATOM 580 O LEU A 41 -0.747 -3.801 -5.926 1.00 0.00 O ATOM 581 CB LEU A 41 -2.410 -3.995 -3.185 1.00 0.00 C ATOM 582 CG LEU A 41 -1.704 -3.156 -2.118 1.00 0.00 C ATOM 583 CD1 LEU A 41 -2.592 -2.005 -1.671 1.00 0.00 C ATOM 584 CD2 LEU A 41 -1.310 -4.018 -0.932 1.00 0.00 C ATOM 0 H LEU A 41 -2.936 -4.684 -6.043 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.133 -2.336 -4.329 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.380 -4.308 -2.800 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.829 -4.901 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.796 -2.741 -2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -2.074 -1.419 -0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.822 -1.369 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.518 -2.401 -1.254 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -0.809 -3.402 -0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.203 -4.465 -0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.635 -4.807 -1.264 1.00 0.00 H new ATOM 596 N THR A 42 -0.704 -1.822 -4.852 1.00 0.00 N ATOM 597 CA THR A 42 0.587 -1.427 -5.408 1.00 0.00 C ATOM 598 C THR A 42 1.226 -0.307 -4.591 1.00 0.00 C ATOM 599 O THR A 42 0.595 0.716 -4.323 1.00 0.00 O ATOM 600 CB THR A 42 0.439 -0.954 -6.869 1.00 0.00 C ATOM 601 OG1 THR A 42 -0.075 -2.016 -7.682 1.00 0.00 O ATOM 602 CG2 THR A 42 1.772 -0.483 -7.431 1.00 0.00 C ATOM 0 H THR A 42 -1.120 -1.137 -4.221 1.00 0.00 H new ATOM 0 HA THR A 42 1.229 -2.307 -5.373 1.00 0.00 H new ATOM 0 HB THR A 42 -0.258 -0.116 -6.881 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.003 -2.864 -7.196 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.637 -0.156 -8.462 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.146 0.348 -6.833 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.489 -1.303 -7.402 1.00 0.00 H new ATOM 610 N ILE A 43 2.488 -0.499 -4.211 1.00 0.00 N ATOM 611 CA ILE A 43 3.216 0.504 -3.440 1.00 0.00 C ATOM 612 C ILE A 43 4.227 1.226 -4.325 1.00 0.00 C ATOM 613 O ILE A 43 4.997 0.586 -5.037 1.00 0.00 O ATOM 614 CB ILE A 43 3.945 -0.122 -2.234 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.936 -0.770 -1.280 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.772 0.930 -1.506 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.575 -1.441 -0.084 1.00 0.00 C ATOM 0 H ILE A 43 3.026 -1.339 -4.425 1.00 0.00 H new ATOM 0 HA ILE A 43 2.483 1.218 -3.064 1.00 0.00 H new ATOM 0 HB ILE A 43 4.620 -0.895 -2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.240 -0.008 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.351 -1.507 -1.830 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.280 0.471 -0.658 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.512 1.348 -2.189 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.117 1.725 -1.150 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.800 -1.877 0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.250 -2.226 -0.425 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.137 -0.704 0.490 1.00 0.00 H new ATOM 629 N CYS A 44 4.208 2.560 -4.272 1.00 0.00 N ATOM 630 CA CYS A 44 5.112 3.392 -5.071 1.00 0.00 C ATOM 631 C CYS A 44 4.759 3.313 -6.556 1.00 0.00 C ATOM 632 O CYS A 44 4.321 4.297 -7.150 1.00 0.00 O ATOM 633 CB CYS A 44 6.570 2.977 -4.855 1.00 0.00 C ATOM 634 SG CYS A 44 7.135 3.131 -3.143 1.00 0.00 S ATOM 0 H CYS A 44 3.571 3.091 -3.679 1.00 0.00 H new ATOM 0 HA CYS A 44 4.991 4.424 -4.740 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.694 1.943 -5.176 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.209 3.587 -5.494 1.00 0.00 H new ATOM 0 HG CYS A 44 8.286 2.540 -3.011 1.00 0.00 H new ATOM 640 N GLY A 45 4.943 2.136 -7.146 1.00 0.00 N ATOM 641 CA GLY A 45 4.629 1.947 -8.551 1.00 0.00 C ATOM 642 C GLY A 45 4.965 0.550 -9.038 1.00 0.00 C ATOM 643 O GLY A 45 5.218 0.345 -10.225 1.00 0.00 O ATOM 0 H GLY A 45 5.305 1.307 -6.674 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.568 2.139 -8.712 1.00 0.00 H new ATOM 0 HA3 GLY A 45 5.179 2.677 -9.144 1.00 0.00 H new ATOM 647 N HIS A 46 4.962 -0.413 -8.119 1.00 0.00 N ATOM 648 CA HIS A 46 5.262 -1.799 -8.459 1.00 0.00 C ATOM 649 C HIS A 46 4.222 -2.740 -7.856 1.00 0.00 C ATOM 650 O HIS A 46 3.847 -2.596 -6.693 1.00 0.00 O ATOM 651 CB HIS A 46 6.660 -2.175 -7.966 1.00 0.00 C ATOM 652 CG HIS A 46 7.057 -3.580 -8.304 1.00 0.00 C ATOM 653 ND1 HIS A 46 7.192 -4.035 -9.601 1.00 0.00 N ATOM 654 CD2 HIS A 46 7.351 -4.634 -7.507 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.550 -5.307 -9.584 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.654 -5.694 -8.326 1.00 0.00 N ATOM 0 H HIS A 46 4.755 -0.257 -7.133 1.00 0.00 H new ATOM 0 HA HIS A 46 5.231 -1.900 -9.544 1.00 0.00 H new ATOM 0 HB2 HIS A 46 7.386 -1.487 -8.399 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.702 -2.044 -6.885 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.348 -4.640 -6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.727 -5.925 -10.452 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.917 -6.629 -8.013 1.00 0.00 H new ATOM 665 N ASN A 47 3.765 -3.704 -8.650 1.00 0.00 N ATOM 666 CA ASN A 47 2.773 -4.669 -8.187 1.00 0.00 C ATOM 667 C ASN A 47 3.294 -5.444 -6.981 1.00 0.00 C ATOM 668 O ASN A 47 4.450 -5.866 -6.958 1.00 0.00 O ATOM 669 CB ASN A 47 2.409 -5.641 -9.312 1.00 0.00 C ATOM 670 CG ASN A 47 1.360 -6.650 -8.887 1.00 0.00 C ATOM 671 OD1 ASN A 47 0.246 -6.283 -8.514 1.00 0.00 O ATOM 672 ND2 ASN A 47 1.713 -7.929 -8.937 1.00 0.00 N ATOM 0 H ASN A 47 4.065 -3.838 -9.616 1.00 0.00 H new ATOM 0 HA ASN A 47 1.880 -4.120 -7.889 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.041 -5.078 -10.170 1.00 0.00 H new ATOM 0 HB3 ASN A 47 3.306 -6.168 -9.637 1.00 0.00 H new ATOM 0 HD21 ASN A 47 1.050 -8.652 -8.660 1.00 0.00 H new ATOM 0 HD22 ASN A 47 2.648 -8.188 -9.253 1.00 0.00 H new ATOM 679 N CYS A 48 2.436 -5.629 -5.980 1.00 0.00 N ATOM 680 CA CYS A 48 2.817 -6.354 -4.771 1.00 0.00 C ATOM 681 C CYS A 48 1.608 -7.032 -4.133 1.00 0.00 C ATOM 682 O CYS A 48 1.504 -7.111 -2.910 1.00 0.00 O ATOM 683 CB CYS A 48 3.458 -5.399 -3.760 1.00 0.00 C ATOM 684 SG CYS A 48 4.963 -4.594 -4.349 1.00 0.00 S ATOM 0 H CYS A 48 1.475 -5.288 -5.982 1.00 0.00 H new ATOM 0 HA CYS A 48 3.537 -7.121 -5.055 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.731 -4.632 -3.491 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.689 -5.953 -2.850 1.00 0.00 H new ATOM 0 HG CYS A 48 5.255 -5.036 -5.536 1.00 0.00 H new ATOM 690 N LEU A 49 0.701 -7.525 -4.968 1.00 0.00 N ATOM 691 CA LEU A 49 -0.497 -8.200 -4.483 1.00 0.00 C ATOM 692 C LEU A 49 -0.150 -9.552 -3.866 1.00 0.00 C ATOM 693 O LEU A 49 -0.655 -9.905 -2.799 1.00 0.00 O ATOM 694 CB LEU A 49 -1.504 -8.381 -5.622 1.00 0.00 C ATOM 695 CG LEU A 49 -2.732 -9.227 -5.276 1.00 0.00 C ATOM 696 CD1 LEU A 49 -3.597 -8.521 -4.243 1.00 0.00 C ATOM 697 CD2 LEU A 49 -3.536 -9.539 -6.530 1.00 0.00 C ATOM 0 H LEU A 49 0.772 -7.470 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.947 -7.577 -3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.840 -7.397 -5.948 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.993 -8.840 -6.468 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.390 -10.168 -4.846 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.464 -9.139 -4.011 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.017 -8.354 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -3.930 -7.563 -4.641 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.405 -10.141 -6.265 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.866 -8.608 -6.991 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -2.913 -10.091 -7.234 1.00 0.00 H new ATOM 709 N LEU A 50 0.707 -10.306 -4.548 1.00 0.00 N ATOM 710 CA LEU A 50 1.118 -11.626 -4.072 1.00 0.00 C ATOM 711 C LEU A 50 1.664 -11.550 -2.647 1.00 0.00 C ATOM 712 O LEU A 50 1.383 -12.418 -1.820 1.00 0.00 O ATOM 713 CB LEU A 50 2.169 -12.247 -5.005 1.00 0.00 C ATOM 714 CG LEU A 50 3.539 -11.558 -5.029 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.554 -12.431 -5.751 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.457 -10.195 -5.701 1.00 0.00 C ATOM 0 H LEU A 50 1.131 -10.027 -5.433 1.00 0.00 H new ATOM 0 HA LEU A 50 0.234 -12.264 -4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.313 -13.288 -4.715 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.769 -12.251 -6.019 1.00 0.00 H new ATOM 0 HG LEU A 50 3.860 -11.412 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.522 -11.931 -5.761 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.645 -13.387 -5.235 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.223 -12.602 -6.775 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.443 -9.730 -5.703 1.00 0.00 H new ATOM 0 HD22 LEU A 50 3.110 -10.316 -6.727 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.759 -9.561 -5.154 1.00 0.00 H new ATOM 728 N THR A 51 2.442 -10.510 -2.368 1.00 0.00 N ATOM 729 CA THR A 51 3.023 -10.322 -1.044 1.00 0.00 C ATOM 730 C THR A 51 2.008 -9.712 -0.082 1.00 0.00 C ATOM 731 O THR A 51 2.031 -9.987 1.119 1.00 0.00 O ATOM 732 CB THR A 51 4.268 -9.414 -1.097 1.00 0.00 C ATOM 733 OG1 THR A 51 3.915 -8.125 -1.614 1.00 0.00 O ATOM 734 CG2 THR A 51 5.357 -10.032 -1.963 1.00 0.00 C ATOM 0 H THR A 51 2.685 -9.784 -3.042 1.00 0.00 H new ATOM 0 HA THR A 51 3.317 -11.309 -0.686 1.00 0.00 H new ATOM 0 HB THR A 51 4.652 -9.306 -0.082 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.049 -8.181 -2.069 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.224 -9.372 -1.984 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.646 -10.998 -1.549 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.981 -10.169 -2.977 1.00 0.00 H new ATOM 742 N ALA A 52 1.128 -8.872 -0.618 1.00 0.00 N ATOM 743 CA ALA A 52 0.108 -8.204 0.185 1.00 0.00 C ATOM 744 C ALA A 52 -0.789 -9.198 0.915 1.00 0.00 C ATOM 745 O ALA A 52 -1.283 -10.161 0.325 1.00 0.00 O ATOM 746 CB ALA A 52 -0.733 -7.291 -0.693 1.00 0.00 C ATOM 0 H ALA A 52 1.101 -8.637 -1.610 1.00 0.00 H new ATOM 0 HA ALA A 52 0.624 -7.611 0.941 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.491 -6.798 -0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -0.093 -6.539 -1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.219 -7.880 -1.470 1.00 0.00 H new ATOM 752 N GLU A 53 -1.008 -8.941 2.202 1.00 0.00 N ATOM 753 CA GLU A 53 -1.859 -9.788 3.029 1.00 0.00 C ATOM 754 C GLU A 53 -2.923 -8.943 3.726 1.00 0.00 C ATOM 755 O GLU A 53 -2.604 -7.953 4.385 1.00 0.00 O ATOM 756 CB GLU A 53 -1.017 -10.532 4.068 1.00 0.00 C ATOM 757 CG GLU A 53 -1.829 -11.448 4.971 1.00 0.00 C ATOM 758 CD GLU A 53 -0.973 -12.151 6.005 1.00 0.00 C ATOM 759 OE1 GLU A 53 -0.330 -11.454 6.819 1.00 0.00 O ATOM 760 OE2 GLU A 53 -0.945 -13.400 6.004 1.00 0.00 O ATOM 0 H GLU A 53 -0.604 -8.146 2.697 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.352 -10.519 2.388 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.259 -11.123 3.553 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.489 -9.804 4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -2.599 -10.865 5.477 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.342 -12.192 4.362 1.00 0.00 H new ATOM 767 N TRP A 54 -4.185 -9.333 3.576 1.00 0.00 N ATOM 768 CA TRP A 54 -5.284 -8.598 4.194 1.00 0.00 C ATOM 769 C TRP A 54 -5.228 -8.721 5.713 1.00 0.00 C ATOM 770 O TRP A 54 -4.773 -9.734 6.245 1.00 0.00 O ATOM 771 CB TRP A 54 -6.634 -9.107 3.688 1.00 0.00 C ATOM 772 CG TRP A 54 -7.760 -8.167 3.994 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.152 -7.093 3.250 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.619 -8.198 5.140 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.215 -6.462 3.854 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.517 -7.121 5.018 1.00 0.00 C ATOM 777 CE3 TRP A 54 -8.718 -9.035 6.254 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.502 -6.860 5.968 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -9.695 -8.775 7.197 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.575 -7.696 7.050 1.00 0.00 C ATOM 0 H TRP A 54 -4.471 -10.149 3.035 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.177 -7.549 3.918 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.578 -9.262 2.610 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -6.844 -10.077 4.139 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.695 -6.783 2.322 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.699 -5.639 3.495 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.044 -9.870 6.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.183 -6.029 5.855 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -9.781 -9.416 8.062 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.327 -7.519 7.805 1.00 0.00 H new ATOM 791 N MET A 55 -5.693 -7.686 6.407 1.00 0.00 N ATOM 792 CA MET A 55 -5.694 -7.681 7.867 1.00 0.00 C ATOM 793 C MET A 55 -6.939 -6.988 8.413 1.00 0.00 C ATOM 794 O MET A 55 -7.561 -7.469 9.361 1.00 0.00 O ATOM 795 CB MET A 55 -4.441 -6.982 8.398 1.00 0.00 C ATOM 796 CG MET A 55 -3.141 -7.663 7.998 1.00 0.00 C ATOM 797 SD MET A 55 -3.005 -9.341 8.645 1.00 0.00 S ATOM 798 CE MET A 55 -3.056 -9.032 10.409 1.00 0.00 C ATOM 0 H MET A 55 -6.074 -6.840 5.982 1.00 0.00 H new ATOM 0 HA MET A 55 -5.698 -8.718 8.204 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.428 -5.954 8.035 1.00 0.00 H new ATOM 0 HB3 MET A 55 -4.496 -6.935 9.486 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.070 -7.691 6.911 1.00 0.00 H new ATOM 0 HG3 MET A 55 -2.300 -7.070 8.357 1.00 0.00 H new ATOM 0 HE1 MET A 55 -2.669 -9.901 10.942 1.00 0.00 H new ATOM 0 HE2 MET A 55 -2.444 -8.161 10.644 1.00 0.00 H new ATOM 0 HE3 MET A 55 -4.085 -8.846 10.716 1.00 0.00 H new ATOM 808 N SER A 56 -7.299 -5.859 7.811 1.00 0.00 N ATOM 809 CA SER A 56 -8.471 -5.104 8.241 1.00 0.00 C ATOM 810 C SER A 56 -8.847 -4.050 7.206 1.00 0.00 C ATOM 811 O SER A 56 -8.124 -3.835 6.232 1.00 0.00 O ATOM 812 CB SER A 56 -8.212 -4.435 9.592 1.00 0.00 C ATOM 813 OG SER A 56 -9.375 -3.781 10.068 1.00 0.00 O ATOM 0 H SER A 56 -6.797 -5.447 7.025 1.00 0.00 H new ATOM 0 HA SER A 56 -9.301 -5.803 8.344 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.890 -5.183 10.316 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.400 -3.715 9.495 1.00 0.00 H new ATOM 0 HG SER A 56 -9.184 -3.363 10.934 1.00 0.00 H new ATOM 819 N ALA A 57 -9.986 -3.400 7.420 1.00 0.00 N ATOM 820 CA ALA A 57 -10.465 -2.370 6.504 1.00 0.00 C ATOM 821 C ALA A 57 -9.736 -1.046 6.715 1.00 0.00 C ATOM 822 O ALA A 57 -10.271 0.019 6.406 1.00 0.00 O ATOM 823 CB ALA A 57 -11.966 -2.179 6.670 1.00 0.00 C ATOM 0 H ALA A 57 -10.595 -3.568 8.220 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.256 -2.704 5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.313 -1.408 5.982 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.478 -3.116 6.453 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.183 -1.875 7.694 1.00 0.00 H new ATOM 829 N SER A 58 -8.510 -1.120 7.233 1.00 0.00 N ATOM 830 CA SER A 58 -7.701 0.071 7.479 1.00 0.00 C ATOM 831 C SER A 58 -6.257 -0.312 7.784 1.00 0.00 C ATOM 832 O SER A 58 -5.513 0.463 8.386 1.00 0.00 O ATOM 833 CB SER A 58 -8.271 0.877 8.649 1.00 0.00 C ATOM 834 OG SER A 58 -9.567 1.369 8.358 1.00 0.00 O ATOM 0 H SER A 58 -8.055 -1.996 7.491 1.00 0.00 H new ATOM 0 HA SER A 58 -7.725 0.683 6.577 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.310 0.250 9.539 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.607 1.711 8.876 1.00 0.00 H new ATOM 0 HG SER A 58 -9.760 1.240 7.406 1.00 0.00 H new ATOM 840 N LYS A 59 -5.865 -1.510 7.363 1.00 0.00 N ATOM 841 CA LYS A 59 -4.508 -1.993 7.590 1.00 0.00 C ATOM 842 C LYS A 59 -4.206 -3.203 6.713 1.00 0.00 C ATOM 843 O LYS A 59 -5.020 -4.122 6.605 1.00 0.00 O ATOM 844 CB LYS A 59 -4.314 -2.355 9.066 1.00 0.00 C ATOM 845 CG LYS A 59 -2.897 -2.793 9.405 1.00 0.00 C ATOM 846 CD LYS A 59 -2.736 -3.119 10.884 1.00 0.00 C ATOM 847 CE LYS A 59 -2.825 -1.875 11.759 1.00 0.00 C ATOM 848 NZ LYS A 59 -4.192 -1.283 11.766 1.00 0.00 N ATOM 0 H LYS A 59 -6.468 -2.164 6.863 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.815 -1.194 7.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.576 -1.493 9.680 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.005 -3.156 9.329 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.637 -3.669 8.811 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.198 -2.003 9.130 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.507 -3.829 11.184 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.774 -3.606 11.045 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.537 -2.130 12.779 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.112 -1.132 11.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.414 -0.933 12.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.232 -0.494 11.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.886 -2.008 11.493 1.00 0.00 H new ATOM 862 N ILE A 60 -3.030 -3.200 6.091 1.00 0.00 N ATOM 863 CA ILE A 60 -2.616 -4.300 5.226 1.00 0.00 C ATOM 864 C ILE A 60 -1.107 -4.509 5.296 1.00 0.00 C ATOM 865 O ILE A 60 -0.330 -3.602 4.998 1.00 0.00 O ATOM 866 CB ILE A 60 -3.010 -4.047 3.754 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.531 -3.939 3.614 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.467 -5.155 2.860 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.992 -3.614 2.208 1.00 0.00 C ATOM 0 H ILE A 60 -2.347 -2.447 6.170 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.131 -5.191 5.585 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.570 -3.101 3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.983 -4.880 3.927 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.896 -3.169 4.294 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.753 -4.962 1.826 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.380 -5.184 2.936 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.879 -6.113 3.177 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -6.080 -3.554 2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.569 -2.658 1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.659 -4.396 1.526 1.00 0.00 H new ATOM 881 N VAL A 61 -0.700 -5.713 5.683 1.00 0.00 N ATOM 882 CA VAL A 61 0.715 -6.044 5.780 1.00 0.00 C ATOM 883 C VAL A 61 1.278 -6.391 4.406 1.00 0.00 C ATOM 884 O VAL A 61 0.748 -7.259 3.713 1.00 0.00 O ATOM 885 CB VAL A 61 0.949 -7.225 6.743 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.433 -7.540 6.857 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.352 -6.924 8.110 1.00 0.00 C ATOM 0 H VAL A 61 -1.330 -6.475 5.934 1.00 0.00 H new ATOM 0 HA VAL A 61 1.230 -5.167 6.172 1.00 0.00 H new ATOM 0 HB VAL A 61 0.448 -8.104 6.338 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.576 -8.376 7.541 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.826 -7.804 5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.962 -6.666 7.237 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.526 -7.768 8.777 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.822 -6.032 8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.720 -6.756 8.010 1.00 0.00 H new ATOM 897 N CYS A 62 2.347 -5.707 4.015 1.00 0.00 N ATOM 898 CA CYS A 62 2.971 -5.943 2.718 1.00 0.00 C ATOM 899 C CYS A 62 4.301 -5.209 2.610 1.00 0.00 C ATOM 900 O CYS A 62 4.433 -4.073 3.067 1.00 0.00 O ATOM 901 CB CYS A 62 2.038 -5.489 1.595 1.00 0.00 C ATOM 902 SG CYS A 62 1.629 -3.729 1.647 1.00 0.00 S ATOM 0 H CYS A 62 2.799 -4.985 4.576 1.00 0.00 H new ATOM 0 HA CYS A 62 3.158 -7.013 2.623 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.504 -5.715 0.636 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.116 -6.068 1.646 1.00 0.00 H new ATOM 0 HG CYS A 62 2.635 -3.064 2.133 1.00 0.00 H new ATOM 908 N ARG A 63 5.284 -5.860 1.999 1.00 0.00 N ATOM 909 CA ARG A 63 6.602 -5.265 1.828 1.00 0.00 C ATOM 910 C ARG A 63 6.635 -4.379 0.586 1.00 0.00 C ATOM 911 O ARG A 63 6.107 -4.748 -0.464 1.00 0.00 O ATOM 912 CB ARG A 63 7.668 -6.359 1.726 1.00 0.00 C ATOM 913 CG ARG A 63 7.746 -7.246 2.959 1.00 0.00 C ATOM 914 CD ARG A 63 8.807 -8.323 2.807 1.00 0.00 C ATOM 915 NE ARG A 63 8.530 -9.210 1.681 1.00 0.00 N ATOM 916 CZ ARG A 63 9.290 -10.251 1.355 1.00 0.00 C ATOM 917 NH1 ARG A 63 10.370 -10.540 2.069 1.00 0.00 N ATOM 918 NH2 ARG A 63 8.969 -11.005 0.313 1.00 0.00 N ATOM 0 H ARG A 63 5.192 -6.800 1.614 1.00 0.00 H new ATOM 0 HA ARG A 63 6.816 -4.646 2.699 1.00 0.00 H new ATOM 0 HB2 ARG A 63 7.459 -6.979 0.854 1.00 0.00 H new ATOM 0 HB3 ARG A 63 8.640 -5.894 1.560 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.969 -6.635 3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.776 -7.712 3.135 1.00 0.00 H new ATOM 0 HD2 ARG A 63 9.781 -7.855 2.668 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.863 -8.909 3.725 1.00 0.00 H new ATOM 0 HE ARG A 63 7.706 -9.020 1.111 1.00 0.00 H new ATOM 0 HH11 ARG A 63 10.620 -9.963 2.872 1.00 0.00 H new ATOM 0 HH12 ARG A 63 10.950 -11.340 1.815 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.139 -10.786 -0.238 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.552 -11.804 0.063 1.00 0.00 H new ATOM 932 N VAL A 64 7.251 -3.207 0.716 1.00 0.00 N ATOM 933 CA VAL A 64 7.347 -2.261 -0.391 1.00 0.00 C ATOM 934 C VAL A 64 7.960 -2.913 -1.630 1.00 0.00 C ATOM 935 O VAL A 64 8.921 -3.671 -1.534 1.00 0.00 O ATOM 936 CB VAL A 64 8.177 -1.023 0.003 1.00 0.00 C ATOM 937 CG1 VAL A 64 9.538 -1.434 0.542 1.00 0.00 C ATOM 938 CG2 VAL A 64 8.329 -0.079 -1.181 1.00 0.00 C ATOM 0 H VAL A 64 7.692 -2.890 1.579 1.00 0.00 H new ATOM 0 HA VAL A 64 6.331 -1.945 -0.628 1.00 0.00 H new ATOM 0 HB VAL A 64 7.645 -0.495 0.794 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.106 -0.544 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.406 -2.063 1.423 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.079 -1.990 -0.223 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.918 0.788 -0.882 1.00 0.00 H new ATOM 0 HG22 VAL A 64 8.834 -0.597 -1.997 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.344 0.249 -1.514 1.00 0.00 H new ATOM 948 N GLY A 65 7.386 -2.616 -2.790 1.00 0.00 N ATOM 949 CA GLY A 65 7.883 -3.186 -4.031 1.00 0.00 C ATOM 950 C GLY A 65 9.238 -2.637 -4.428 1.00 0.00 C ATOM 951 O GLY A 65 10.216 -3.382 -4.514 1.00 0.00 O ATOM 0 H GLY A 65 6.586 -1.992 -2.895 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.951 -4.269 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.168 -2.987 -4.829 1.00 0.00 H new ATOM 955 N GLN A 66 9.294 -1.330 -4.667 1.00 0.00 N ATOM 956 CA GLN A 66 10.534 -0.666 -5.056 1.00 0.00 C ATOM 957 C GLN A 66 10.303 0.835 -5.229 1.00 0.00 C ATOM 958 O GLN A 66 9.591 1.453 -4.435 1.00 0.00 O ATOM 959 CB GLN A 66 11.087 -1.279 -6.350 1.00 0.00 C ATOM 960 CG GLN A 66 10.140 -1.172 -7.536 1.00 0.00 C ATOM 961 CD GLN A 66 10.753 -1.706 -8.816 1.00 0.00 C ATOM 962 OE1 GLN A 66 11.776 -1.206 -9.282 1.00 0.00 O ATOM 963 NE2 GLN A 66 10.129 -2.727 -9.391 1.00 0.00 N ATOM 0 H GLN A 66 8.490 -0.707 -4.597 1.00 0.00 H new ATOM 0 HA GLN A 66 11.269 -0.812 -4.265 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.026 -0.786 -6.602 1.00 0.00 H new ATOM 0 HB3 GLN A 66 11.316 -2.330 -6.174 1.00 0.00 H new ATOM 0 HG2 GLN A 66 9.225 -1.723 -7.317 1.00 0.00 H new ATOM 0 HG3 GLN A 66 9.858 -0.129 -7.679 1.00 0.00 H new ATOM 0 HE21 GLN A 66 9.283 -3.110 -8.970 1.00 0.00 H new ATOM 0 HE22 GLN A 66 10.496 -3.128 -10.254 1.00 0.00 H new ATOM 972 N ALA A 67 10.898 1.419 -6.266 1.00 0.00 N ATOM 973 CA ALA A 67 10.743 2.842 -6.530 1.00 0.00 C ATOM 974 C ALA A 67 10.586 3.109 -8.021 1.00 0.00 C ATOM 975 O ALA A 67 11.244 3.990 -8.575 1.00 0.00 O ATOM 976 CB ALA A 67 11.928 3.618 -5.984 1.00 0.00 C ATOM 0 H ALA A 67 11.491 0.927 -6.935 1.00 0.00 H new ATOM 0 HA ALA A 67 9.838 3.178 -6.024 1.00 0.00 H new ATOM 0 HB1 ALA A 67 11.794 4.680 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.999 3.464 -4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 67 12.843 3.268 -6.461 1.00 0.00 H new ATOM 982 N LYS A 68 9.705 2.348 -8.662 1.00 0.00 N ATOM 983 CA LYS A 68 9.456 2.512 -10.088 1.00 0.00 C ATOM 984 C LYS A 68 9.152 3.971 -10.401 1.00 0.00 C ATOM 985 O LYS A 68 9.700 4.549 -11.340 1.00 0.00 O ATOM 986 CB LYS A 68 8.287 1.625 -10.523 1.00 0.00 C ATOM 987 CG LYS A 68 7.940 1.753 -11.995 1.00 0.00 C ATOM 988 CD LYS A 68 9.090 1.310 -12.883 1.00 0.00 C ATOM 989 CE LYS A 68 8.765 1.505 -14.354 1.00 0.00 C ATOM 990 NZ LYS A 68 8.497 2.935 -14.678 1.00 0.00 N ATOM 0 H LYS A 68 9.153 1.614 -8.218 1.00 0.00 H new ATOM 0 HA LYS A 68 10.348 2.213 -10.638 1.00 0.00 H new ATOM 0 HB2 LYS A 68 8.531 0.585 -10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 68 7.409 1.878 -9.928 1.00 0.00 H new ATOM 0 HG2 LYS A 68 7.058 1.152 -12.215 1.00 0.00 H new ATOM 0 HG3 LYS A 68 7.684 2.788 -12.220 1.00 0.00 H new ATOM 0 HD2 LYS A 68 9.986 1.876 -12.629 1.00 0.00 H new ATOM 0 HD3 LYS A 68 9.313 0.260 -12.695 1.00 0.00 H new ATOM 0 HE2 LYS A 68 9.596 1.145 -14.960 1.00 0.00 H new ATOM 0 HE3 LYS A 68 7.895 0.904 -14.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 8.531 3.070 -15.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 7.555 3.200 -14.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 9.217 3.534 -14.227 1.00 0.00 H new ATOM 1004 N ASN A 69 8.284 4.562 -9.588 1.00 0.00 N ATOM 1005 CA ASN A 69 7.906 5.960 -9.743 1.00 0.00 C ATOM 1006 C ASN A 69 8.877 6.860 -8.989 1.00 0.00 C ATOM 1007 O ASN A 69 9.464 6.449 -7.987 1.00 0.00 O ATOM 1008 CB ASN A 69 6.484 6.190 -9.230 1.00 0.00 C ATOM 1009 CG ASN A 69 5.436 5.418 -9.997 1.00 0.00 C ATOM 1010 OD1 ASN A 69 4.238 5.608 -9.792 1.00 0.00 O ATOM 1011 ND2 ASN A 69 5.874 4.528 -10.869 1.00 0.00 N ATOM 0 H ASN A 69 7.826 4.089 -8.809 1.00 0.00 H new ATOM 0 HA ASN A 69 7.944 6.208 -10.804 1.00 0.00 H new ATOM 0 HB2 ASN A 69 6.435 5.908 -8.178 1.00 0.00 H new ATOM 0 HB3 ASN A 69 6.254 7.254 -9.285 1.00 0.00 H new ATOM 0 HD21 ASN A 69 5.210 3.967 -11.403 1.00 0.00 H new ATOM 0 HD22 ASN A 69 6.876 4.402 -11.009 1.00 0.00 H new ATOM 1018 N ASP A 70 9.040 8.085 -9.471 1.00 0.00 N ATOM 1019 CA ASP A 70 9.940 9.040 -8.833 1.00 0.00 C ATOM 1020 C ASP A 70 9.571 9.244 -7.364 1.00 0.00 C ATOM 1021 O ASP A 70 10.441 9.243 -6.492 1.00 0.00 O ATOM 1022 CB ASP A 70 9.920 10.374 -9.586 1.00 0.00 C ATOM 1023 CG ASP A 70 8.517 10.822 -9.949 1.00 0.00 C ATOM 1024 OD1 ASP A 70 7.701 11.030 -9.031 1.00 0.00 O ATOM 1025 OD2 ASP A 70 8.236 10.963 -11.158 1.00 0.00 O ATOM 0 H ASP A 70 8.563 8.441 -10.299 1.00 0.00 H new ATOM 0 HA ASP A 70 10.951 8.634 -8.871 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.394 11.140 -8.972 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.514 10.282 -10.495 1.00 0.00 H new ATOM 1030 N LYS A 71 8.279 9.402 -7.093 1.00 0.00 N ATOM 1031 CA LYS A 71 7.799 9.590 -5.728 1.00 0.00 C ATOM 1032 C LYS A 71 7.556 8.237 -5.056 1.00 0.00 C ATOM 1033 O LYS A 71 8.449 7.390 -5.014 1.00 0.00 O ATOM 1034 CB LYS A 71 6.521 10.433 -5.725 1.00 0.00 C ATOM 1035 CG LYS A 71 6.709 11.824 -6.302 1.00 0.00 C ATOM 1036 CD LYS A 71 5.397 12.587 -6.354 1.00 0.00 C ATOM 1037 CE LYS A 71 5.573 13.955 -6.995 1.00 0.00 C ATOM 1038 NZ LYS A 71 4.292 14.708 -7.060 1.00 0.00 N ATOM 0 H LYS A 71 7.545 9.404 -7.801 1.00 0.00 H new ATOM 0 HA LYS A 71 8.563 10.121 -5.160 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.751 9.913 -6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 71 6.155 10.520 -4.702 1.00 0.00 H new ATOM 0 HG2 LYS A 71 7.428 12.376 -5.697 1.00 0.00 H new ATOM 0 HG3 LYS A 71 7.128 11.749 -7.306 1.00 0.00 H new ATOM 0 HD2 LYS A 71 4.662 12.012 -6.918 1.00 0.00 H new ATOM 0 HD3 LYS A 71 5.003 12.705 -5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.304 14.531 -6.427 1.00 0.00 H new ATOM 0 HE3 LYS A 71 5.975 13.835 -8.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 4.456 15.634 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.602 14.171 -7.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.921 14.845 -6.098 1.00 0.00 H new ATOM 1052 N GLY A 72 6.346 8.036 -4.537 1.00 0.00 N ATOM 1053 CA GLY A 72 6.016 6.784 -3.883 1.00 0.00 C ATOM 1054 C GLY A 72 4.588 6.759 -3.375 1.00 0.00 C ATOM 1055 O GLY A 72 4.321 6.263 -2.279 1.00 0.00 O ATOM 0 H GLY A 72 5.589 8.720 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.165 5.961 -4.582 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.699 6.621 -3.049 1.00 0.00 H new ATOM 1059 N ASP A 73 3.669 7.294 -4.173 1.00 0.00 N ATOM 1060 CA ASP A 73 2.259 7.332 -3.801 1.00 0.00 C ATOM 1061 C ASP A 73 1.698 5.925 -3.652 1.00 0.00 C ATOM 1062 O ASP A 73 1.871 5.080 -4.530 1.00 0.00 O ATOM 1063 CB ASP A 73 1.453 8.100 -4.849 1.00 0.00 C ATOM 1064 CG ASP A 73 1.906 9.539 -4.992 1.00 0.00 C ATOM 1065 OD1 ASP A 73 1.806 10.295 -4.003 1.00 0.00 O ATOM 1066 OD2 ASP A 73 2.363 9.910 -6.093 1.00 0.00 O ATOM 0 H ASP A 73 3.876 7.708 -5.082 1.00 0.00 H new ATOM 0 HA ASP A 73 2.178 7.842 -2.841 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.543 7.597 -5.812 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.398 8.080 -4.577 1.00 0.00 H new ATOM 1071 N ILE A 74 1.014 5.681 -2.540 1.00 0.00 N ATOM 1072 CA ILE A 74 0.417 4.378 -2.282 1.00 0.00 C ATOM 1073 C ILE A 74 -0.958 4.283 -2.934 1.00 0.00 C ATOM 1074 O ILE A 74 -1.783 5.186 -2.797 1.00 0.00 O ATOM 1075 CB ILE A 74 0.298 4.107 -0.769 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.689 4.141 -0.125 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.383 2.766 -0.517 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.675 3.945 1.375 1.00 0.00 C ATOM 0 H ILE A 74 0.860 6.369 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 74 1.072 3.622 -2.715 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.316 4.885 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.307 3.365 -0.577 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.161 5.097 -0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.458 2.592 0.556 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.382 2.777 -0.953 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.203 1.969 -0.974 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.695 3.982 1.756 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.085 4.735 1.840 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.234 2.977 1.611 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.195 3.192 -3.653 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.467 2.992 -4.337 1.00 0.00 C ATOM 1092 C ILE A 75 -3.062 1.628 -4.008 1.00 0.00 C ATOM 1093 O ILE A 75 -2.348 0.627 -3.937 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.304 3.117 -5.868 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.742 4.495 -6.237 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.634 2.872 -6.570 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.628 5.651 -5.818 1.00 0.00 C ATOM 0 H ILE A 75 -0.524 2.434 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.143 3.771 -3.985 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.597 2.358 -6.203 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.763 4.614 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.591 4.538 -7.316 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.499 2.964 -7.648 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -3.991 1.870 -6.334 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.365 3.607 -6.232 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.163 6.592 -6.114 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.600 5.559 -6.303 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.759 5.635 -4.736 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.377 1.597 -3.811 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.075 0.359 -3.493 1.00 0.00 C ATOM 1111 C VAL A 76 -6.421 0.293 -4.210 1.00 0.00 C ATOM 1112 O VAL A 76 -7.272 1.167 -4.042 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.289 0.217 -1.972 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -6.015 1.431 -1.419 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -6.053 -1.059 -1.650 1.00 0.00 C ATOM 0 H VAL A 76 -4.980 2.418 -3.867 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.451 -0.466 -3.837 1.00 0.00 H new ATOM 0 HB VAL A 76 -4.311 0.156 -1.495 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.157 1.312 -0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -5.424 2.327 -1.610 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -6.986 1.527 -1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -6.192 -1.138 -0.572 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -7.026 -1.034 -2.140 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.489 -1.921 -2.007 1.00 0.00 H new ATOM 1125 N THR A 77 -6.600 -0.747 -5.018 1.00 0.00 N ATOM 1126 CA THR A 77 -7.834 -0.927 -5.770 1.00 0.00 C ATOM 1127 C THR A 77 -8.778 -1.900 -5.071 1.00 0.00 C ATOM 1128 O THR A 77 -8.368 -2.975 -4.632 1.00 0.00 O ATOM 1129 CB THR A 77 -7.551 -1.442 -7.195 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.657 -0.548 -7.870 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.844 -1.565 -7.992 1.00 0.00 C ATOM 0 H THR A 77 -5.905 -1.478 -5.168 1.00 0.00 H new ATOM 0 HA THR A 77 -8.310 0.052 -5.828 1.00 0.00 H new ATOM 0 HB THR A 77 -7.092 -2.428 -7.117 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.481 -0.883 -8.774 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.620 -1.930 -8.994 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.514 -2.264 -7.492 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.324 -0.589 -8.060 1.00 0.00 H new ATOM 1139 N THR A 78 -10.047 -1.517 -4.985 1.00 0.00 N ATOM 1140 CA THR A 78 -11.065 -2.350 -4.357 1.00 0.00 C ATOM 1141 C THR A 78 -12.142 -2.717 -5.370 1.00 0.00 C ATOM 1142 O THR A 78 -12.505 -1.901 -6.218 1.00 0.00 O ATOM 1143 CB THR A 78 -11.717 -1.639 -3.157 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.348 -0.428 -3.587 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.683 -1.325 -2.086 1.00 0.00 C ATOM 0 H THR A 78 -10.396 -0.629 -5.345 1.00 0.00 H new ATOM 0 HA THR A 78 -10.573 -3.253 -3.996 1.00 0.00 H new ATOM 0 HB THR A 78 -12.466 -2.307 -2.732 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.761 0.017 -2.818 1.00 0.00 H new ATOM 0 HG21 THR A 78 -11.167 -0.823 -1.249 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.226 -2.252 -1.738 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.913 -0.675 -2.503 1.00 0.00 H new ATOM 1153 N LYS A 79 -12.644 -3.946 -5.290 1.00 0.00 N ATOM 1154 CA LYS A 79 -13.673 -4.405 -6.217 1.00 0.00 C ATOM 1155 C LYS A 79 -14.862 -3.453 -6.227 1.00 0.00 C ATOM 1156 O LYS A 79 -15.362 -3.086 -7.289 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.120 -5.820 -5.857 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.020 -6.853 -6.033 1.00 0.00 C ATOM 1159 CD LYS A 79 -13.473 -8.241 -5.617 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.616 -8.746 -6.484 1.00 0.00 C ATOM 1161 NZ LYS A 79 -14.230 -8.829 -7.921 1.00 0.00 N ATOM 0 H LYS A 79 -12.357 -4.638 -4.598 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.246 -4.420 -7.220 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.462 -5.835 -4.822 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.972 -6.095 -6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -12.704 -6.872 -7.076 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.152 -6.562 -5.442 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -12.633 -8.933 -5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.789 -8.223 -4.574 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.929 -9.730 -6.135 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.474 -8.082 -6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.945 -9.376 -8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.169 -7.871 -8.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.306 -9.298 -8.006 1.00 0.00 H new ATOM 1175 N SER A 80 -15.298 -3.039 -5.042 1.00 0.00 N ATOM 1176 CA SER A 80 -16.415 -2.112 -4.931 1.00 0.00 C ATOM 1177 C SER A 80 -16.022 -0.753 -5.500 1.00 0.00 C ATOM 1178 O SER A 80 -16.760 -0.157 -6.284 1.00 0.00 O ATOM 1179 CB SER A 80 -16.847 -1.964 -3.472 1.00 0.00 C ATOM 1180 OG SER A 80 -17.246 -3.211 -2.929 1.00 0.00 O ATOM 0 H SER A 80 -14.897 -3.329 -4.150 1.00 0.00 H new ATOM 0 HA SER A 80 -17.254 -2.509 -5.502 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.024 -1.555 -2.886 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.671 -1.254 -3.404 1.00 0.00 H new ATOM 0 HG SER A 80 -16.452 -3.748 -2.725 1.00 0.00 H new ATOM 1186 N GLY A 81 -14.845 -0.278 -5.099 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.354 1.002 -5.576 1.00 0.00 C ATOM 1188 C GLY A 81 -13.690 0.898 -6.937 1.00 0.00 C ATOM 1189 O GLY A 81 -14.233 0.287 -7.857 1.00 0.00 O ATOM 0 H GLY A 81 -14.222 -0.759 -4.450 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.183 1.708 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.641 1.405 -4.857 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.510 1.499 -7.061 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.780 1.468 -8.317 1.00 0.00 C ATOM 1195 C GLY A 82 -10.553 2.355 -8.289 1.00 0.00 C ATOM 1196 O GLY A 82 -10.500 3.374 -8.980 1.00 0.00 O ATOM 0 H GLY A 82 -12.044 2.009 -6.310 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.480 0.443 -8.535 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.438 1.787 -9.125 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.571 1.973 -7.474 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.334 2.738 -7.331 1.00 0.00 C ATOM 1202 C LYS A 83 -8.610 4.075 -6.648 1.00 0.00 C ATOM 1203 O LYS A 83 -9.224 4.968 -7.232 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.678 2.968 -8.698 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.413 3.809 -8.634 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.808 4.013 -10.015 1.00 0.00 C ATOM 1207 CE LYS A 83 -4.566 4.890 -9.955 1.00 0.00 C ATOM 1208 NZ LYS A 83 -4.868 6.239 -9.399 1.00 0.00 N ATOM 0 H LYS A 83 -9.609 1.132 -6.899 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.647 2.162 -6.710 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.440 2.002 -9.144 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -8.395 3.456 -9.358 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -6.641 4.778 -8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.685 3.323 -7.985 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.551 3.046 -10.448 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -6.547 4.471 -10.673 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.808 4.405 -9.340 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -4.146 4.995 -10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.064 6.875 -9.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.719 6.621 -9.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -5.032 6.164 -8.375 1.00 0.00 H new ATOM 1222 N GLY A 84 -8.153 4.199 -5.405 1.00 0.00 N ATOM 1223 CA GLY A 84 -8.362 5.423 -4.654 1.00 0.00 C ATOM 1224 C GLY A 84 -7.220 6.407 -4.803 1.00 0.00 C ATOM 1225 O GLY A 84 -6.739 6.652 -5.909 1.00 0.00 O ATOM 0 H GLY A 84 -7.641 3.472 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.287 5.894 -4.987 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.490 5.179 -3.599 1.00 0.00 H new ATOM 1229 N THR A 85 -6.786 6.974 -3.679 1.00 0.00 N ATOM 1230 CA THR A 85 -5.696 7.943 -3.671 1.00 0.00 C ATOM 1231 C THR A 85 -4.867 7.809 -2.397 1.00 0.00 C ATOM 1232 O THR A 85 -5.016 6.839 -1.651 1.00 0.00 O ATOM 1233 CB THR A 85 -6.225 9.388 -3.773 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.086 9.675 -2.665 1.00 0.00 O ATOM 1235 CG2 THR A 85 -6.982 9.604 -5.076 1.00 0.00 C ATOM 0 H THR A 85 -7.176 6.776 -2.758 1.00 0.00 H new ATOM 0 HA THR A 85 -5.073 7.733 -4.540 1.00 0.00 H new ATOM 0 HB THR A 85 -5.369 10.062 -3.755 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.416 10.595 -2.737 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.344 10.631 -5.121 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.317 9.416 -5.919 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.829 8.919 -5.123 1.00 0.00 H new ATOM 1243 N SER A 86 -3.995 8.783 -2.149 1.00 0.00 N ATOM 1244 CA SER A 86 -3.149 8.763 -0.961 1.00 0.00 C ATOM 1245 C SER A 86 -2.434 10.097 -0.772 1.00 0.00 C ATOM 1246 O SER A 86 -1.739 10.574 -1.671 1.00 0.00 O ATOM 1247 CB SER A 86 -2.121 7.634 -1.059 1.00 0.00 C ATOM 1248 OG SER A 86 -1.299 7.789 -2.203 1.00 0.00 O ATOM 0 H SER A 86 -3.857 9.593 -2.753 1.00 0.00 H new ATOM 0 HA SER A 86 -3.791 8.591 -0.097 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.502 7.623 -0.162 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.634 6.674 -1.104 1.00 0.00 H new ATOM 0 HG SER A 86 -1.256 6.941 -2.692 1.00 0.00 H new ATOM 1254 N THR A 87 -2.601 10.689 0.408 1.00 0.00 N ATOM 1255 CA THR A 87 -1.966 11.963 0.723 1.00 0.00 C ATOM 1256 C THR A 87 -0.599 11.741 1.360 1.00 0.00 C ATOM 1257 O THR A 87 -0.128 12.563 2.147 1.00 0.00 O ATOM 1258 CB THR A 87 -2.834 12.799 1.682 1.00 0.00 C ATOM 1259 OG1 THR A 87 -2.990 12.110 2.928 1.00 0.00 O ATOM 1260 CG2 THR A 87 -4.204 13.071 1.077 1.00 0.00 C ATOM 0 H THR A 87 -3.171 10.305 1.161 1.00 0.00 H new ATOM 0 HA THR A 87 -1.849 12.505 -0.215 1.00 0.00 H new ATOM 0 HB THR A 87 -2.332 13.752 1.851 1.00 0.00 H new ATOM 0 HG1 THR A 87 -3.542 12.649 3.533 1.00 0.00 H new ATOM 0 HG21 THR A 87 -4.798 13.663 1.773 1.00 0.00 H new ATOM 0 HG22 THR A 87 -4.087 13.620 0.143 1.00 0.00 H new ATOM 0 HG23 THR A 87 -4.710 12.125 0.881 1.00 0.00 H new ATOM 1268 N VAL A 88 0.031 10.621 1.011 1.00 0.00 N ATOM 1269 CA VAL A 88 1.344 10.269 1.545 1.00 0.00 C ATOM 1270 C VAL A 88 2.105 9.369 0.576 1.00 0.00 C ATOM 1271 O VAL A 88 1.505 8.597 -0.173 1.00 0.00 O ATOM 1272 CB VAL A 88 1.237 9.545 2.904 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.730 10.486 3.987 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.333 8.327 2.788 1.00 0.00 C ATOM 0 H VAL A 88 -0.350 9.938 0.356 1.00 0.00 H new ATOM 0 HA VAL A 88 1.882 11.207 1.683 1.00 0.00 H new ATOM 0 HB VAL A 88 2.235 9.211 3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.664 9.950 4.934 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.419 11.324 4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.257 10.859 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.269 7.828 3.755 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.663 8.641 2.475 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.744 7.637 2.051 1.00 0.00 H new ATOM 1284 N SER A 89 3.429 9.473 0.598 1.00 0.00 N ATOM 1285 CA SER A 89 4.277 8.671 -0.275 1.00 0.00 C ATOM 1286 C SER A 89 5.450 8.081 0.501 1.00 0.00 C ATOM 1287 O SER A 89 6.097 8.772 1.288 1.00 0.00 O ATOM 1288 CB SER A 89 4.798 9.523 -1.436 1.00 0.00 C ATOM 1289 OG SER A 89 3.731 10.013 -2.229 1.00 0.00 O ATOM 0 H SER A 89 3.939 10.107 1.213 1.00 0.00 H new ATOM 0 HA SER A 89 3.677 7.852 -0.673 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.379 10.359 -1.046 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.471 8.928 -2.054 1.00 0.00 H new ATOM 0 HG SER A 89 4.090 10.555 -2.962 1.00 0.00 H new ATOM 1295 N PHE A 90 5.714 6.798 0.275 1.00 0.00 N ATOM 1296 CA PHE A 90 6.808 6.112 0.953 1.00 0.00 C ATOM 1297 C PHE A 90 8.122 6.317 0.209 1.00 0.00 C ATOM 1298 O PHE A 90 8.213 6.069 -0.993 1.00 0.00 O ATOM 1299 CB PHE A 90 6.502 4.616 1.062 1.00 0.00 C ATOM 1300 CG PHE A 90 7.602 3.820 1.709 1.00 0.00 C ATOM 1301 CD1 PHE A 90 7.977 4.061 3.021 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.257 2.824 1.001 1.00 0.00 C ATOM 1303 CE1 PHE A 90 8.986 3.325 3.615 1.00 0.00 C ATOM 1304 CE2 PHE A 90 9.267 2.087 1.588 1.00 0.00 C ATOM 1305 CZ PHE A 90 9.632 2.337 2.897 1.00 0.00 C ATOM 0 H PHE A 90 5.186 6.213 -0.372 1.00 0.00 H new ATOM 0 HA PHE A 90 6.907 6.534 1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 90 5.584 4.483 1.634 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.316 4.218 0.064 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.475 4.833 3.586 1.00 0.00 H new ATOM 0 HD2 PHE A 90 7.974 2.622 -0.022 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.269 3.522 4.639 1.00 0.00 H new ATOM 0 HE2 PHE A 90 9.771 1.316 1.024 1.00 0.00 H new ATOM 0 HZ PHE A 90 10.421 1.761 3.358 1.00 0.00 H new ATOM 1315 N LYS A 91 9.142 6.767 0.934 1.00 0.00 N ATOM 1316 CA LYS A 91 10.454 6.998 0.343 1.00 0.00 C ATOM 1317 C LYS A 91 11.230 5.688 0.232 1.00 0.00 C ATOM 1318 O LYS A 91 11.535 5.050 1.240 1.00 0.00 O ATOM 1319 CB LYS A 91 11.236 8.009 1.182 1.00 0.00 C ATOM 1320 CG LYS A 91 12.617 8.327 0.631 1.00 0.00 C ATOM 1321 CD LYS A 91 13.312 9.393 1.460 1.00 0.00 C ATOM 1322 CE LYS A 91 14.689 9.721 0.908 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.361 10.792 1.693 1.00 0.00 N ATOM 0 H LYS A 91 9.084 6.978 1.930 1.00 0.00 H new ATOM 0 HA LYS A 91 10.318 7.402 -0.660 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.661 8.932 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.340 7.623 2.196 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.223 7.421 0.619 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.529 8.666 -0.401 1.00 0.00 H new ATOM 0 HD2 LYS A 91 12.702 10.296 1.478 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.405 9.050 2.491 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.307 8.823 0.916 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.598 10.036 -0.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.297 10.986 1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 14.784 11.657 1.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 15.471 10.482 2.680 1.00 0.00 H new ATOM 1337 N LEU A 92 11.541 5.291 -0.997 1.00 0.00 N ATOM 1338 CA LEU A 92 12.275 4.055 -1.239 1.00 0.00 C ATOM 1339 C LEU A 92 13.771 4.272 -1.032 1.00 0.00 C ATOM 1340 O LEU A 92 14.357 5.194 -1.600 1.00 0.00 O ATOM 1341 CB LEU A 92 12.001 3.556 -2.663 1.00 0.00 C ATOM 1342 CG LEU A 92 12.310 2.077 -2.936 1.00 0.00 C ATOM 1343 CD1 LEU A 92 13.799 1.790 -2.823 1.00 0.00 C ATOM 1344 CD2 LEU A 92 11.522 1.183 -1.992 1.00 0.00 C ATOM 0 H LEU A 92 11.296 5.808 -1.842 1.00 0.00 H new ATOM 0 HA LEU A 92 11.937 3.301 -0.528 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.950 3.734 -2.892 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.585 4.161 -3.356 1.00 0.00 H new ATOM 0 HG LEU A 92 12.006 1.858 -3.960 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.982 0.734 -3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.342 2.396 -3.548 1.00 0.00 H new ATOM 0 HD13 LEU A 92 14.141 2.034 -1.817 1.00 0.00 H new ATOM 0 HD21 LEU A 92 11.754 0.139 -2.201 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.791 1.415 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.455 1.353 -2.136 1.00 0.00 H new ATOM 1356 N LEU A 93 14.383 3.415 -0.222 1.00 0.00 N ATOM 1357 CA LEU A 93 15.811 3.514 0.052 1.00 0.00 C ATOM 1358 C LEU A 93 16.597 2.518 -0.796 1.00 0.00 C ATOM 1359 O LEU A 93 16.232 1.345 -0.890 1.00 0.00 O ATOM 1360 CB LEU A 93 16.089 3.273 1.537 1.00 0.00 C ATOM 1361 CG LEU A 93 15.376 4.232 2.495 1.00 0.00 C ATOM 1362 CD1 LEU A 93 15.745 3.916 3.935 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.720 5.678 2.161 1.00 0.00 C ATOM 0 H LEU A 93 13.913 2.646 0.255 1.00 0.00 H new ATOM 0 HA LEU A 93 16.136 4.521 -0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 93 15.797 2.253 1.785 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.163 3.347 1.706 1.00 0.00 H new ATOM 0 HG LEU A 93 14.301 4.099 2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.230 4.607 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.448 2.894 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 93 16.822 4.020 4.066 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.204 6.344 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.796 5.826 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.406 5.900 1.141 1.00 0.00 H new ATOM 1375 N LYS A 94 17.678 2.991 -1.408 1.00 0.00 N ATOM 1376 CA LYS A 94 18.516 2.140 -2.244 1.00 0.00 C ATOM 1377 C LYS A 94 19.240 1.097 -1.396 1.00 0.00 C ATOM 1378 O LYS A 94 19.797 1.424 -0.348 1.00 0.00 O ATOM 1379 CB LYS A 94 19.535 2.987 -3.009 1.00 0.00 C ATOM 1380 CG LYS A 94 20.414 2.179 -3.952 1.00 0.00 C ATOM 1381 CD LYS A 94 21.434 3.057 -4.663 1.00 0.00 C ATOM 1382 CE LYS A 94 22.389 3.718 -3.681 1.00 0.00 C ATOM 1383 NZ LYS A 94 23.387 4.580 -4.371 1.00 0.00 N ATOM 0 H LYS A 94 17.994 3.959 -1.341 1.00 0.00 H new ATOM 0 HA LYS A 94 17.874 1.624 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 94 19.005 3.748 -3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 94 20.169 3.511 -2.294 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.932 1.402 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 94 19.789 1.676 -4.690 1.00 0.00 H new ATOM 0 HD2 LYS A 94 22.001 2.454 -5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 94 20.916 3.824 -5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 94 21.821 4.318 -2.970 1.00 0.00 H new ATOM 0 HE3 LYS A 94 22.908 2.950 -3.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 24.019 5.012 -3.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 23.947 4.003 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 22.894 5.328 -4.898 1.00 0.00 H new ATOM 1397 N PRO A 95 19.245 -0.177 -1.834 1.00 0.00 N ATOM 1398 CA PRO A 95 19.910 -1.258 -1.098 1.00 0.00 C ATOM 1399 C PRO A 95 21.372 -0.948 -0.810 1.00 0.00 C ATOM 1400 O PRO A 95 22.125 -0.575 -1.708 1.00 0.00 O ATOM 1401 CB PRO A 95 19.805 -2.453 -2.045 1.00 0.00 C ATOM 1402 CG PRO A 95 18.616 -2.159 -2.891 1.00 0.00 C ATOM 1403 CD PRO A 95 18.605 -0.667 -3.070 1.00 0.00 C ATOM 0 HA PRO A 95 19.451 -1.424 -0.123 1.00 0.00 H new ATOM 0 HB2 PRO A 95 20.705 -2.559 -2.650 1.00 0.00 H new ATOM 0 HB3 PRO A 95 19.679 -3.385 -1.494 1.00 0.00 H new ATOM 0 HG2 PRO A 95 18.684 -2.668 -3.852 1.00 0.00 H new ATOM 0 HG3 PRO A 95 17.699 -2.503 -2.412 1.00 0.00 H new ATOM 0 HD2 PRO A 95 19.159 -0.363 -3.958 1.00 0.00 H new ATOM 0 HD3 PRO A 95 17.591 -0.282 -3.179 1.00 0.00 H new ATOM 1411 N GLU A 96 21.770 -1.111 0.448 1.00 0.00 N ATOM 1412 CA GLU A 96 23.147 -0.855 0.845 1.00 0.00 C ATOM 1413 C GLU A 96 24.041 -2.034 0.478 1.00 0.00 C ATOM 1414 O GLU A 96 23.838 -3.151 0.954 1.00 0.00 O ATOM 1415 CB GLU A 96 23.225 -0.583 2.350 1.00 0.00 C ATOM 1416 CG GLU A 96 24.634 -0.296 2.845 1.00 0.00 C ATOM 1417 CD GLU A 96 24.683 -0.014 4.333 1.00 0.00 C ATOM 1418 OE1 GLU A 96 24.026 0.951 4.777 1.00 0.00 O ATOM 1419 OE2 GLU A 96 25.379 -0.758 5.056 1.00 0.00 O ATOM 0 H GLU A 96 21.160 -1.418 1.206 1.00 0.00 H new ATOM 0 HA GLU A 96 23.499 0.026 0.309 1.00 0.00 H new ATOM 0 HB2 GLU A 96 22.584 0.265 2.591 1.00 0.00 H new ATOM 0 HB3 GLU A 96 22.829 -1.444 2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 96 25.275 -1.148 2.619 1.00 0.00 H new ATOM 0 HG3 GLU A 96 25.038 0.559 2.303 1.00 0.00 H new ATOM 1426 N LYS A 97 25.032 -1.774 -0.368 1.00 0.00 N ATOM 1427 CA LYS A 97 25.966 -2.808 -0.804 1.00 0.00 C ATOM 1428 C LYS A 97 27.071 -2.212 -1.669 1.00 0.00 C ATOM 1429 O LYS A 97 28.246 -2.271 -1.250 1.00 0.00 O ATOM 1430 CB LYS A 97 25.229 -3.906 -1.579 1.00 0.00 C ATOM 1431 CG LYS A 97 26.131 -5.038 -2.049 1.00 0.00 C ATOM 1432 CD LYS A 97 26.793 -5.758 -0.881 1.00 0.00 C ATOM 1433 CE LYS A 97 25.766 -6.423 0.025 1.00 0.00 C ATOM 1434 NZ LYS A 97 26.409 -7.124 1.170 1.00 0.00 N ATOM 1435 OXT LYS A 97 26.753 -1.690 -2.759 1.00 0.00 O ATOM 0 H LYS A 97 25.210 -0.852 -0.767 1.00 0.00 H new ATOM 0 HA LYS A 97 26.420 -3.247 0.084 1.00 0.00 H new ATOM 0 HB2 LYS A 97 24.443 -4.319 -0.947 1.00 0.00 H new ATOM 0 HB3 LYS A 97 24.740 -3.460 -2.445 1.00 0.00 H new ATOM 0 HG2 LYS A 97 25.546 -5.751 -2.631 1.00 0.00 H new ATOM 0 HG3 LYS A 97 26.899 -4.639 -2.712 1.00 0.00 H new ATOM 0 HD2 LYS A 97 27.484 -6.510 -1.262 1.00 0.00 H new ATOM 0 HD3 LYS A 97 27.383 -5.047 -0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 97 25.073 -5.671 0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 97 25.178 -7.136 -0.554 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 25.677 -7.564 1.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 27.051 -7.859 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 26.949 -6.440 1.737 1.00 0.00 H new TER 1449 LYS A 97