USER MOD reduce.3.24.130724 H: found=0, std=0, add=824, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 825 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 37 LYS NZ :NH3+ -169:sc= -0.0237 (180deg=-0.178) USER MOD Set 1.2: A 38 LYS NZ :NH3+ -166:sc= -0.0322 (180deg=-0.24) USER MOD Set 2.1: A 28 LYS NZ :NH3+ -162:sc= 0 (180deg=0) USER MOD Set 2.2: A 31 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 2 MET CE :methyl 174:sc= -2.43 (180deg=-2.57!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 161:sc= 0.811 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ -165:sc= -0.0435 (180deg=-0.239) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= -0.355 USER MOD Single : A 26 HIS :FLIP no HD1:sc= -6.3! C(o=-7.3!,f=-6.3!) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.937 (180deg=-1.48) USER MOD Single : A 32 MET CE :methyl -171:sc= -0.0122 (180deg=-0.178) USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= -0.169 (180deg=-0.555) USER MOD Single : A 39 SER OG : rot -124:sc= 0.396 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 163:sc= -0.0695 (180deg=-0.503) USER MOD Single : A 48 HIS : no HD1:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -124:sc= 1.15 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 16:sc= -1.12 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 62:sc= 0.686 USER MOD Single : A 83 LYS NZ :NH3+ 157:sc= -0.0727 (180deg=-0.424) USER MOD Single : A 84 THR OG1 : rot 93:sc= 1.15 USER MOD Single : A 86 MET CE :methyl 149:sc= -3.96! (180deg=-5.7!) USER MOD Single : A 91 LYS NZ :NH3+ 165:sc= 0 (180deg=-0.0262) USER MOD Single : A 96 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.008) USER MOD Single : A 103 SER OG : rot -91:sc= 1.24 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 37:sc= 0.128 USER MOD ----------------------------------------------------------------- ATOM 14 N MET A 2 4.399 -11.048 4.163 1.00 0.00 N ATOM 15 CA MET A 2 4.861 -9.749 3.676 1.00 0.00 C ATOM 16 C MET A 2 6.386 -9.694 3.624 1.00 0.00 C ATOM 17 O MET A 2 6.969 -9.453 2.566 1.00 0.00 O ATOM 18 CB MET A 2 4.314 -8.617 4.555 1.00 0.00 C ATOM 19 CG MET A 2 4.508 -7.226 3.964 1.00 0.00 C ATOM 20 SD MET A 2 6.209 -6.643 4.090 1.00 0.00 S ATOM 21 CE MET A 2 6.369 -6.439 5.864 1.00 0.00 C ATOM 0 HA MET A 2 4.482 -9.616 2.663 1.00 0.00 H new ATOM 0 HB2 MET A 2 3.250 -8.784 4.724 1.00 0.00 H new ATOM 0 HB3 MET A 2 4.802 -8.658 5.529 1.00 0.00 H new ATOM 0 HG2 MET A 2 4.209 -7.237 2.916 1.00 0.00 H new ATOM 0 HG3 MET A 2 3.850 -6.524 4.476 1.00 0.00 H new ATOM 0 HE1 MET A 2 7.400 -6.185 6.109 1.00 0.00 H new ATOM 0 HE2 MET A 2 5.709 -5.639 6.199 1.00 0.00 H new ATOM 0 HE3 MET A 2 6.096 -7.369 6.363 1.00 0.00 H new ATOM 31 N THR A 3 7.030 -9.918 4.765 1.00 0.00 N ATOM 32 CA THR A 3 8.486 -9.894 4.833 1.00 0.00 C ATOM 33 C THR A 3 9.083 -11.092 4.104 1.00 0.00 C ATOM 34 O THR A 3 10.221 -11.046 3.638 1.00 0.00 O ATOM 35 CB THR A 3 8.984 -9.893 6.290 1.00 0.00 C ATOM 36 OG1 THR A 3 8.590 -11.104 6.946 1.00 0.00 O ATOM 37 CG2 THR A 3 8.430 -8.697 7.050 1.00 0.00 C ATOM 0 H THR A 3 6.568 -10.118 5.652 1.00 0.00 H new ATOM 0 HA THR A 3 8.812 -8.973 4.349 1.00 0.00 H new ATOM 0 HB THR A 3 10.072 -9.825 6.277 1.00 0.00 H new ATOM 0 HG1 THR A 3 8.913 -11.095 7.871 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.795 -8.717 8.077 1.00 0.00 H new ATOM 0 HG22 THR A 3 8.756 -7.776 6.567 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.341 -8.740 7.051 1.00 0.00 H new ATOM 45 N ASP A 4 8.303 -12.166 4.010 1.00 0.00 N ATOM 46 CA ASP A 4 8.751 -13.380 3.335 1.00 0.00 C ATOM 47 C ASP A 4 8.546 -13.275 1.826 1.00 0.00 C ATOM 48 O ASP A 4 9.299 -13.857 1.047 1.00 0.00 O ATOM 49 CB ASP A 4 8.004 -14.599 3.883 1.00 0.00 C ATOM 50 CG ASP A 4 8.437 -15.890 3.218 1.00 0.00 C ATOM 51 OD1 ASP A 4 7.837 -16.254 2.184 1.00 0.00 O ATOM 52 OD2 ASP A 4 9.376 -16.536 3.727 1.00 0.00 O ATOM 0 H ASP A 4 7.359 -12.220 4.392 1.00 0.00 H new ATOM 0 HA ASP A 4 9.817 -13.500 3.528 1.00 0.00 H new ATOM 0 HB2 ASP A 4 8.173 -14.673 4.957 1.00 0.00 H new ATOM 0 HB3 ASP A 4 6.933 -14.460 3.738 1.00 0.00 H new ATOM 57 N LEU A 5 7.522 -12.530 1.421 1.00 0.00 N ATOM 58 CA LEU A 5 7.223 -12.349 0.003 1.00 0.00 C ATOM 59 C LEU A 5 7.798 -11.036 -0.513 1.00 0.00 C ATOM 60 O LEU A 5 8.648 -11.027 -1.403 1.00 0.00 O ATOM 61 CB LEU A 5 5.715 -12.382 -0.236 1.00 0.00 C ATOM 62 CG LEU A 5 5.042 -13.707 0.107 1.00 0.00 C ATOM 63 CD1 LEU A 5 4.976 -13.888 1.612 1.00 0.00 C ATOM 64 CD2 LEU A 5 3.654 -13.772 -0.508 1.00 0.00 C ATOM 0 H LEU A 5 6.886 -12.043 2.052 1.00 0.00 H new ATOM 0 HA LEU A 5 7.688 -13.170 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 5 5.251 -11.591 0.353 1.00 0.00 H new ATOM 0 HB3 LEU A 5 5.522 -12.153 -1.284 1.00 0.00 H new ATOM 0 HG LEU A 5 5.636 -14.520 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.493 -14.838 1.843 1.00 0.00 H new ATOM 0 HD12 LEU A 5 5.985 -13.884 2.024 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.402 -13.073 2.052 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.188 -14.724 -0.254 1.00 0.00 H new ATOM 0 HD22 LEU A 5 3.046 -12.955 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.732 -13.684 -1.592 1.00 0.00 H new ATOM 76 N LEU A 6 7.332 -9.929 0.053 1.00 0.00 N ATOM 77 CA LEU A 6 7.809 -8.615 -0.354 1.00 0.00 C ATOM 78 C LEU A 6 9.208 -8.383 0.193 1.00 0.00 C ATOM 79 O LEU A 6 9.491 -8.710 1.346 1.00 0.00 O ATOM 80 CB LEU A 6 6.866 -7.520 0.150 1.00 0.00 C ATOM 81 CG LEU A 6 5.377 -7.808 -0.038 1.00 0.00 C ATOM 82 CD1 LEU A 6 4.552 -6.562 0.240 1.00 0.00 C ATOM 83 CD2 LEU A 6 5.110 -8.326 -1.442 1.00 0.00 C ATOM 0 H LEU A 6 6.628 -9.916 0.791 1.00 0.00 H new ATOM 0 HA LEU A 6 7.835 -8.576 -1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 6 7.057 -7.358 1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.108 -6.590 -0.364 1.00 0.00 H new ATOM 0 HG LEU A 6 5.082 -8.578 0.675 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.495 -6.787 0.101 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.721 -6.235 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.848 -5.769 -0.447 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.045 -8.526 -1.560 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.421 -7.578 -2.171 1.00 0.00 H new ATOM 0 HD23 LEU A 6 5.672 -9.246 -1.603 1.00 0.00 H new ATOM 95 N SER A 7 10.083 -7.821 -0.631 1.00 0.00 N ATOM 96 CA SER A 7 11.447 -7.567 -0.202 1.00 0.00 C ATOM 97 C SER A 7 11.453 -6.729 1.071 1.00 0.00 C ATOM 98 O SER A 7 11.120 -5.545 1.042 1.00 0.00 O ATOM 99 CB SER A 7 12.231 -6.843 -1.296 1.00 0.00 C ATOM 100 OG SER A 7 11.889 -7.330 -2.581 1.00 0.00 O ATOM 0 H SER A 7 9.874 -7.536 -1.588 1.00 0.00 H new ATOM 0 HA SER A 7 11.924 -8.526 -0.003 1.00 0.00 H new ATOM 0 HB2 SER A 7 12.029 -5.773 -1.244 1.00 0.00 H new ATOM 0 HB3 SER A 7 13.300 -6.974 -1.128 1.00 0.00 H new ATOM 0 HG SER A 7 12.160 -6.678 -3.261 1.00 0.00 H new ATOM 106 N ALA A 8 11.846 -7.339 2.186 1.00 0.00 N ATOM 107 CA ALA A 8 11.890 -6.633 3.460 1.00 0.00 C ATOM 108 C ALA A 8 12.908 -5.504 3.405 1.00 0.00 C ATOM 109 O ALA A 8 12.767 -4.487 4.086 1.00 0.00 O ATOM 110 CB ALA A 8 12.219 -7.596 4.591 1.00 0.00 C ATOM 0 H ALA A 8 12.137 -8.316 2.232 1.00 0.00 H new ATOM 0 HA ALA A 8 10.907 -6.202 3.652 1.00 0.00 H new ATOM 0 HB1 ALA A 8 12.248 -7.052 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 8 11.455 -8.372 4.642 1.00 0.00 H new ATOM 0 HB3 ALA A 8 13.190 -8.055 4.407 1.00 0.00 H new ATOM 116 N GLU A 9 13.931 -5.695 2.584 1.00 0.00 N ATOM 117 CA GLU A 9 14.983 -4.702 2.422 1.00 0.00 C ATOM 118 C GLU A 9 14.467 -3.490 1.654 1.00 0.00 C ATOM 119 O GLU A 9 14.684 -2.349 2.056 1.00 0.00 O ATOM 120 CB GLU A 9 16.178 -5.322 1.695 1.00 0.00 C ATOM 121 CG GLU A 9 15.841 -5.857 0.312 1.00 0.00 C ATOM 122 CD GLU A 9 17.029 -6.514 -0.363 1.00 0.00 C ATOM 123 OE1 GLU A 9 17.259 -7.717 -0.121 1.00 0.00 O ATOM 124 OE2 GLU A 9 17.730 -5.825 -1.134 1.00 0.00 O ATOM 0 H GLU A 9 14.055 -6.534 2.017 1.00 0.00 H new ATOM 0 HA GLU A 9 15.302 -4.369 3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 9 16.965 -4.573 1.604 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.580 -6.134 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 9 15.029 -6.579 0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 9 15.479 -5.040 -0.312 1.00 0.00 H new ATOM 131 N ASP A 10 13.770 -3.748 0.550 1.00 0.00 N ATOM 132 CA ASP A 10 13.222 -2.681 -0.280 1.00 0.00 C ATOM 133 C ASP A 10 12.237 -1.824 0.499 1.00 0.00 C ATOM 134 O ASP A 10 12.345 -0.605 0.529 1.00 0.00 O ATOM 135 CB ASP A 10 12.500 -3.279 -1.473 1.00 0.00 C ATOM 136 CG ASP A 10 13.408 -4.138 -2.333 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.643 -3.990 -2.225 1.00 0.00 O ATOM 138 OD2 ASP A 10 12.883 -4.957 -3.115 1.00 0.00 O ATOM 0 H ASP A 10 13.572 -4.689 0.210 1.00 0.00 H new ATOM 0 HA ASP A 10 14.053 -2.057 -0.608 1.00 0.00 H new ATOM 0 HB2 ASP A 10 11.662 -3.881 -1.122 1.00 0.00 H new ATOM 0 HB3 ASP A 10 12.083 -2.476 -2.081 1.00 0.00 H new ATOM 143 N ILE A 11 11.263 -2.480 1.110 1.00 0.00 N ATOM 144 CA ILE A 11 10.246 -1.794 1.890 1.00 0.00 C ATOM 145 C ILE A 11 10.879 -0.949 2.990 1.00 0.00 C ATOM 146 O ILE A 11 10.512 0.208 3.181 1.00 0.00 O ATOM 147 CB ILE A 11 9.282 -2.819 2.519 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.583 -3.645 1.436 1.00 0.00 C ATOM 149 CG2 ILE A 11 8.257 -2.131 3.411 1.00 0.00 C ATOM 150 CD1 ILE A 11 8.500 -5.117 1.768 1.00 0.00 C ATOM 0 H ILE A 11 11.156 -3.494 1.080 1.00 0.00 H new ATOM 0 HA ILE A 11 9.693 -1.136 1.220 1.00 0.00 H new ATOM 0 HB ILE A 11 9.872 -3.494 3.139 1.00 0.00 H new ATOM 0 HG12 ILE A 11 7.576 -3.256 1.285 1.00 0.00 H new ATOM 0 HG13 ILE A 11 9.117 -3.522 0.494 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.590 -2.878 3.842 1.00 0.00 H new ATOM 0 HG22 ILE A 11 8.770 -1.598 4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 11 7.676 -1.424 2.819 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.994 -5.644 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.505 -5.520 1.890 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.941 -5.250 2.694 1.00 0.00 H new ATOM 162 N LYS A 12 11.835 -1.527 3.705 1.00 0.00 N ATOM 163 CA LYS A 12 12.510 -0.816 4.783 1.00 0.00 C ATOM 164 C LYS A 12 13.205 0.438 4.258 1.00 0.00 C ATOM 165 O LYS A 12 13.001 1.536 4.779 1.00 0.00 O ATOM 166 CB LYS A 12 13.526 -1.739 5.462 1.00 0.00 C ATOM 167 CG LYS A 12 14.070 -1.199 6.776 1.00 0.00 C ATOM 168 CD LYS A 12 15.098 -0.100 6.557 1.00 0.00 C ATOM 169 CE LYS A 12 15.828 0.242 7.845 1.00 0.00 C ATOM 170 NZ LYS A 12 16.892 1.260 7.627 1.00 0.00 N ATOM 0 H LYS A 12 12.160 -2.483 3.559 1.00 0.00 H new ATOM 0 HA LYS A 12 11.762 -0.509 5.514 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.058 -2.706 5.644 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.358 -1.911 4.779 1.00 0.00 H new ATOM 0 HG2 LYS A 12 13.247 -0.812 7.377 1.00 0.00 H new ATOM 0 HG3 LYS A 12 14.524 -2.012 7.342 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.818 -0.418 5.803 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.603 0.791 6.170 1.00 0.00 H new ATOM 0 HE2 LYS A 12 15.114 0.615 8.579 1.00 0.00 H new ATOM 0 HE3 LYS A 12 16.271 -0.662 8.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 17.366 1.466 8.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.588 0.895 6.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 16.467 2.132 7.253 1.00 0.00 H new ATOM 184 N LYS A 13 14.013 0.271 3.217 1.00 0.00 N ATOM 185 CA LYS A 13 14.751 1.388 2.630 1.00 0.00 C ATOM 186 C LYS A 13 13.825 2.323 1.865 1.00 0.00 C ATOM 187 O LYS A 13 13.812 3.530 2.089 1.00 0.00 O ATOM 188 CB LYS A 13 15.814 0.865 1.665 1.00 0.00 C ATOM 189 CG LYS A 13 16.625 -0.299 2.207 1.00 0.00 C ATOM 190 CD LYS A 13 17.056 -1.234 1.089 1.00 0.00 C ATOM 191 CE LYS A 13 17.929 -2.358 1.618 1.00 0.00 C ATOM 192 NZ LYS A 13 19.214 -1.851 2.174 1.00 0.00 N ATOM 0 H LYS A 13 14.175 -0.627 2.761 1.00 0.00 H new ATOM 0 HA LYS A 13 15.217 1.937 3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 13 15.328 0.556 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 13 16.492 1.680 1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 13 17.504 0.078 2.729 1.00 0.00 H new ATOM 0 HG3 LYS A 13 16.033 -0.850 2.938 1.00 0.00 H new ATOM 0 HD2 LYS A 13 16.175 -1.653 0.602 1.00 0.00 H new ATOM 0 HD3 LYS A 13 17.602 -0.672 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 13 17.389 -2.903 2.392 1.00 0.00 H new ATOM 0 HE3 LYS A 13 18.135 -3.066 0.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 19.879 -2.642 2.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 19.620 -1.148 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 19.041 -1.408 3.099 1.00 0.00 H new ATOM 206 N ALA A 14 13.039 1.746 0.974 1.00 0.00 N ATOM 207 CA ALA A 14 12.115 2.507 0.152 1.00 0.00 C ATOM 208 C ALA A 14 11.187 3.368 0.996 1.00 0.00 C ATOM 209 O ALA A 14 10.860 4.494 0.623 1.00 0.00 O ATOM 210 CB ALA A 14 11.316 1.565 -0.733 1.00 0.00 C ATOM 0 H ALA A 14 13.023 0.741 0.800 1.00 0.00 H new ATOM 0 HA ALA A 14 12.697 3.181 -0.476 1.00 0.00 H new ATOM 0 HB1 ALA A 14 10.625 2.142 -1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 14 11.995 1.007 -1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 14 10.754 0.869 -0.110 1.00 0.00 H new ATOM 216 N ILE A 15 10.762 2.834 2.134 1.00 0.00 N ATOM 217 CA ILE A 15 9.871 3.558 3.022 1.00 0.00 C ATOM 218 C ILE A 15 10.586 4.729 3.707 1.00 0.00 C ATOM 219 O ILE A 15 10.175 5.880 3.579 1.00 0.00 O ATOM 220 CB ILE A 15 9.235 2.608 4.049 1.00 0.00 C ATOM 221 CG1 ILE A 15 8.170 1.836 3.297 1.00 0.00 C ATOM 222 CG2 ILE A 15 8.630 3.349 5.243 1.00 0.00 C ATOM 223 CD1 ILE A 15 7.243 1.034 4.166 1.00 0.00 C ATOM 0 H ILE A 15 11.021 1.903 2.461 1.00 0.00 H new ATOM 0 HA ILE A 15 9.070 3.983 2.417 1.00 0.00 H new ATOM 0 HB ILE A 15 9.993 1.951 4.475 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.578 2.538 2.710 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.658 1.163 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 15 8.195 2.629 5.936 1.00 0.00 H new ATOM 0 HG22 ILE A 15 9.409 3.917 5.752 1.00 0.00 H new ATOM 0 HG23 ILE A 15 7.854 4.030 4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 15 6.515 0.516 3.541 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.818 0.303 4.735 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.722 1.700 4.854 1.00 0.00 H new ATOM 235 N GLY A 16 11.677 4.429 4.409 1.00 0.00 N ATOM 236 CA GLY A 16 12.408 5.466 5.124 1.00 0.00 C ATOM 237 C GLY A 16 13.355 6.278 4.260 1.00 0.00 C ATOM 238 O GLY A 16 13.338 7.507 4.314 1.00 0.00 O ATOM 0 H GLY A 16 12.068 3.491 4.496 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.691 6.142 5.590 1.00 0.00 H new ATOM 0 HA3 GLY A 16 12.978 5.002 5.929 1.00 0.00 H new ATOM 242 N ALA A 17 14.186 5.602 3.469 1.00 0.00 N ATOM 243 CA ALA A 17 15.156 6.284 2.605 1.00 0.00 C ATOM 244 C ALA A 17 14.564 7.533 1.954 1.00 0.00 C ATOM 245 O ALA A 17 15.147 8.615 2.023 1.00 0.00 O ATOM 246 CB ALA A 17 15.675 5.336 1.535 1.00 0.00 C ATOM 0 H ALA A 17 14.210 4.584 3.406 1.00 0.00 H new ATOM 0 HA ALA A 17 15.985 6.601 3.238 1.00 0.00 H new ATOM 0 HB1 ALA A 17 16.393 5.859 0.903 1.00 0.00 H new ATOM 0 HB2 ALA A 17 16.161 4.484 2.009 1.00 0.00 H new ATOM 0 HB3 ALA A 17 14.843 4.986 0.925 1.00 0.00 H new ATOM 252 N PHE A 18 13.407 7.375 1.323 1.00 0.00 N ATOM 253 CA PHE A 18 12.745 8.481 0.664 1.00 0.00 C ATOM 254 C PHE A 18 11.280 8.578 1.074 1.00 0.00 C ATOM 255 O PHE A 18 10.468 7.717 0.739 1.00 0.00 O ATOM 256 CB PHE A 18 12.878 8.326 -0.847 1.00 0.00 C ATOM 257 CG PHE A 18 12.525 6.962 -1.377 1.00 0.00 C ATOM 258 CD1 PHE A 18 11.206 6.594 -1.597 1.00 0.00 C ATOM 259 CD2 PHE A 18 13.528 6.053 -1.672 1.00 0.00 C ATOM 260 CE1 PHE A 18 10.897 5.340 -2.100 1.00 0.00 C ATOM 261 CE2 PHE A 18 13.224 4.801 -2.171 1.00 0.00 C ATOM 262 CZ PHE A 18 11.907 4.445 -2.386 1.00 0.00 C ATOM 0 H PHE A 18 12.911 6.486 1.257 1.00 0.00 H new ATOM 0 HA PHE A 18 13.227 9.409 0.973 1.00 0.00 H new ATOM 0 HB2 PHE A 18 12.239 9.065 -1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 18 13.904 8.556 -1.132 1.00 0.00 H new ATOM 0 HD1 PHE A 18 10.412 7.291 -1.374 1.00 0.00 H new ATOM 0 HD2 PHE A 18 14.560 6.326 -1.510 1.00 0.00 H new ATOM 0 HE1 PHE A 18 9.866 5.064 -2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 18 14.016 4.101 -2.393 1.00 0.00 H new ATOM 0 HZ PHE A 18 11.668 3.467 -2.778 1.00 0.00 H new ATOM 272 N THR A 19 10.956 9.627 1.820 1.00 0.00 N ATOM 273 CA THR A 19 9.591 9.848 2.270 1.00 0.00 C ATOM 274 C THR A 19 8.826 10.705 1.267 1.00 0.00 C ATOM 275 O THR A 19 7.692 10.397 0.908 1.00 0.00 O ATOM 276 CB THR A 19 9.551 10.530 3.651 1.00 0.00 C ATOM 277 OG1 THR A 19 8.195 10.661 4.093 1.00 0.00 O ATOM 278 CG2 THR A 19 10.206 11.902 3.600 1.00 0.00 C ATOM 0 H THR A 19 11.621 10.337 2.125 1.00 0.00 H new ATOM 0 HA THR A 19 9.119 8.869 2.351 1.00 0.00 H new ATOM 0 HB THR A 19 10.105 9.907 4.353 1.00 0.00 H new ATOM 0 HG1 THR A 19 8.178 11.094 4.972 1.00 0.00 H new ATOM 0 HG21 THR A 19 10.164 12.362 4.587 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.246 11.797 3.292 1.00 0.00 H new ATOM 0 HG23 THR A 19 9.677 12.531 2.884 1.00 0.00 H new ATOM 286 N ALA A 20 9.463 11.785 0.822 1.00 0.00 N ATOM 287 CA ALA A 20 8.867 12.697 -0.146 1.00 0.00 C ATOM 288 C ALA A 20 8.240 11.938 -1.311 1.00 0.00 C ATOM 289 O ALA A 20 7.078 12.156 -1.651 1.00 0.00 O ATOM 290 CB ALA A 20 9.921 13.667 -0.659 1.00 0.00 C ATOM 0 H ALA A 20 10.401 12.050 1.121 1.00 0.00 H new ATOM 0 HA ALA A 20 8.075 13.254 0.355 1.00 0.00 H new ATOM 0 HB1 ALA A 20 9.469 14.346 -1.382 1.00 0.00 H new ATOM 0 HB2 ALA A 20 10.324 14.241 0.175 1.00 0.00 H new ATOM 0 HB3 ALA A 20 10.726 13.110 -1.138 1.00 0.00 H new ATOM 296 N ALA A 21 9.016 11.037 -1.910 1.00 0.00 N ATOM 297 CA ALA A 21 8.548 10.246 -3.047 1.00 0.00 C ATOM 298 C ALA A 21 7.143 9.705 -2.813 1.00 0.00 C ATOM 299 O ALA A 21 6.197 10.077 -3.507 1.00 0.00 O ATOM 300 CB ALA A 21 9.512 9.103 -3.328 1.00 0.00 C ATOM 0 H ALA A 21 9.975 10.836 -1.626 1.00 0.00 H new ATOM 0 HA ALA A 21 8.511 10.904 -3.915 1.00 0.00 H new ATOM 0 HB1 ALA A 21 9.151 8.523 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.498 9.507 -3.558 1.00 0.00 H new ATOM 0 HB3 ALA A 21 9.579 8.459 -2.451 1.00 0.00 H new ATOM 306 N ASP A 22 7.019 8.826 -1.833 1.00 0.00 N ATOM 307 CA ASP A 22 5.731 8.232 -1.500 1.00 0.00 C ATOM 308 C ASP A 22 4.812 9.269 -0.875 1.00 0.00 C ATOM 309 O ASP A 22 3.597 9.243 -1.074 1.00 0.00 O ATOM 310 CB ASP A 22 5.915 7.053 -0.544 1.00 0.00 C ATOM 311 CG ASP A 22 6.536 7.469 0.775 1.00 0.00 C ATOM 312 OD1 ASP A 22 7.780 7.552 0.846 1.00 0.00 O ATOM 313 OD2 ASP A 22 5.779 7.710 1.738 1.00 0.00 O ATOM 0 H ASP A 22 7.794 8.506 -1.252 1.00 0.00 H new ATOM 0 HA ASP A 22 5.275 7.869 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 22 4.948 6.587 -0.356 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.545 6.300 -1.017 1.00 0.00 H new ATOM 318 N SER A 23 5.404 10.182 -0.119 1.00 0.00 N ATOM 319 CA SER A 23 4.650 11.238 0.536 1.00 0.00 C ATOM 320 C SER A 23 3.765 11.962 -0.473 1.00 0.00 C ATOM 321 O SER A 23 2.617 12.295 -0.182 1.00 0.00 O ATOM 322 CB SER A 23 5.605 12.220 1.221 1.00 0.00 C ATOM 323 OG SER A 23 5.056 13.526 1.267 1.00 0.00 O ATOM 0 H SER A 23 6.408 10.212 0.056 1.00 0.00 H new ATOM 0 HA SER A 23 4.008 10.793 1.296 1.00 0.00 H new ATOM 0 HB2 SER A 23 5.818 11.877 2.233 1.00 0.00 H new ATOM 0 HB3 SER A 23 6.554 12.241 0.685 1.00 0.00 H new ATOM 0 HG SER A 23 5.687 14.131 1.711 1.00 0.00 H new ATOM 329 N PHE A 24 4.303 12.197 -1.666 1.00 0.00 N ATOM 330 CA PHE A 24 3.549 12.869 -2.716 1.00 0.00 C ATOM 331 C PHE A 24 2.902 11.843 -3.650 1.00 0.00 C ATOM 332 O PHE A 24 1.894 12.127 -4.297 1.00 0.00 O ATOM 333 CB PHE A 24 4.457 13.847 -3.493 1.00 0.00 C ATOM 334 CG PHE A 24 5.063 13.297 -4.764 1.00 0.00 C ATOM 335 CD1 PHE A 24 6.170 12.465 -4.723 1.00 0.00 C ATOM 336 CD2 PHE A 24 4.516 13.617 -5.996 1.00 0.00 C ATOM 337 CE1 PHE A 24 6.719 11.963 -5.888 1.00 0.00 C ATOM 338 CE2 PHE A 24 5.061 13.119 -7.165 1.00 0.00 C ATOM 339 CZ PHE A 24 6.164 12.290 -7.110 1.00 0.00 C ATOM 0 H PHE A 24 5.253 11.933 -1.928 1.00 0.00 H new ATOM 0 HA PHE A 24 2.750 13.452 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.877 14.735 -3.742 1.00 0.00 H new ATOM 0 HB3 PHE A 24 5.264 14.168 -2.835 1.00 0.00 H new ATOM 0 HD1 PHE A 24 6.609 12.206 -3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.653 14.264 -6.044 1.00 0.00 H new ATOM 0 HE1 PHE A 24 7.582 11.315 -5.843 1.00 0.00 H new ATOM 0 HE2 PHE A 24 4.625 13.378 -8.119 1.00 0.00 H new ATOM 0 HZ PHE A 24 6.592 11.898 -8.021 1.00 0.00 H new ATOM 349 N ASP A 25 3.491 10.651 -3.712 1.00 0.00 N ATOM 350 CA ASP A 25 2.978 9.589 -4.571 1.00 0.00 C ATOM 351 C ASP A 25 3.617 8.242 -4.230 1.00 0.00 C ATOM 352 O ASP A 25 4.732 7.946 -4.660 1.00 0.00 O ATOM 353 CB ASP A 25 3.240 9.938 -6.038 1.00 0.00 C ATOM 354 CG ASP A 25 2.742 8.870 -6.989 1.00 0.00 C ATOM 355 OD1 ASP A 25 1.526 8.590 -6.984 1.00 0.00 O ATOM 356 OD2 ASP A 25 3.571 8.313 -7.739 1.00 0.00 O ATOM 0 H ASP A 25 4.322 10.397 -3.178 1.00 0.00 H new ATOM 0 HA ASP A 25 1.904 9.503 -4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 25 2.755 10.885 -6.275 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.310 10.082 -6.188 1.00 0.00 H new ATOM 361 N HIS A 26 2.901 7.432 -3.452 1.00 0.00 N ATOM 362 CA HIS A 26 3.390 6.111 -3.059 1.00 0.00 C ATOM 363 C HIS A 26 3.429 5.172 -4.263 1.00 0.00 C ATOM 364 O HIS A 26 4.121 4.157 -4.237 1.00 0.00 O ATOM 365 CB HIS A 26 2.528 5.556 -1.908 1.00 0.00 C ATOM 366 CG HIS A 26 2.535 4.063 -1.723 1.00 0.00 C ATOM 367 ND1 HIS A 26 2.361 3.046 -2.600 1.00 0.00 N flip ATOM 368 CD2 HIS A 26 2.680 3.472 -0.485 1.00 0.00 C flip ATOM 369 CE1 HIS A 26 2.399 1.874 -1.882 1.00 0.00 C flip ATOM 370 NE2 HIS A 26 2.594 2.160 -0.609 1.00 0.00 N flip ATOM 0 H HIS A 26 1.980 7.667 -3.081 1.00 0.00 H new ATOM 0 HA HIS A 26 4.413 6.195 -2.693 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.863 6.016 -0.978 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.498 5.875 -2.069 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.839 4.001 0.443 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.287 0.882 -2.293 1.00 0.00 H new ATOM 0 HE2 HIS A 26 2.666 1.483 0.150 1.00 0.00 H new ATOM 379 N LYS A 27 2.711 5.524 -5.334 1.00 0.00 N ATOM 380 CA LYS A 27 2.698 4.716 -6.537 1.00 0.00 C ATOM 381 C LYS A 27 4.117 4.336 -6.940 1.00 0.00 C ATOM 382 O LYS A 27 4.413 3.166 -7.187 1.00 0.00 O ATOM 383 CB LYS A 27 2.009 5.474 -7.672 1.00 0.00 C ATOM 384 CG LYS A 27 0.513 5.679 -7.483 1.00 0.00 C ATOM 385 CD LYS A 27 -0.140 4.461 -6.863 1.00 0.00 C ATOM 386 CE LYS A 27 0.054 3.222 -7.717 1.00 0.00 C ATOM 387 NZ LYS A 27 -0.641 2.038 -7.143 1.00 0.00 N ATOM 0 H LYS A 27 2.135 6.364 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 27 2.141 3.801 -6.336 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.485 6.449 -7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.173 4.933 -8.604 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.341 6.548 -6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.049 5.891 -8.446 1.00 0.00 H new ATOM 0 HD2 LYS A 27 0.279 4.289 -5.872 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -1.206 4.648 -6.730 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.322 3.412 -8.722 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.119 3.008 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.274 1.172 -7.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.473 2.000 -6.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -1.662 2.114 -7.324 1.00 0.00 H new ATOM 401 N LYS A 28 4.993 5.334 -7.004 1.00 0.00 N ATOM 402 CA LYS A 28 6.387 5.090 -7.336 1.00 0.00 C ATOM 403 C LYS A 28 6.975 4.164 -6.287 1.00 0.00 C ATOM 404 O LYS A 28 7.675 3.204 -6.605 1.00 0.00 O ATOM 405 CB LYS A 28 7.168 6.403 -7.372 1.00 0.00 C ATOM 406 CG LYS A 28 6.627 7.408 -8.374 1.00 0.00 C ATOM 407 CD LYS A 28 6.606 6.836 -9.782 1.00 0.00 C ATOM 408 CE LYS A 28 7.990 6.385 -10.222 1.00 0.00 C ATOM 409 NZ LYS A 28 7.993 5.895 -11.628 1.00 0.00 N ATOM 0 H LYS A 28 4.762 6.312 -6.831 1.00 0.00 H new ATOM 0 HA LYS A 28 6.454 4.631 -8.322 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.155 6.851 -6.378 1.00 0.00 H new ATOM 0 HB3 LYS A 28 8.210 6.189 -7.611 1.00 0.00 H new ATOM 0 HG2 LYS A 28 5.618 7.704 -8.085 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.241 8.308 -8.355 1.00 0.00 H new ATOM 0 HD2 LYS A 28 5.917 5.992 -9.823 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.230 7.588 -10.476 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.690 7.215 -10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.341 5.593 -9.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.847 5.326 -11.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 7.149 5.310 -11.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.985 6.706 -12.278 1.00 0.00 H new ATOM 423 N PHE A 29 6.678 4.471 -5.029 1.00 0.00 N ATOM 424 CA PHE A 29 7.142 3.654 -3.923 1.00 0.00 C ATOM 425 C PHE A 29 6.659 2.217 -4.111 1.00 0.00 C ATOM 426 O PHE A 29 7.364 1.270 -3.781 1.00 0.00 O ATOM 427 CB PHE A 29 6.652 4.220 -2.581 1.00 0.00 C ATOM 428 CG PHE A 29 6.804 3.255 -1.440 1.00 0.00 C ATOM 429 CD1 PHE A 29 8.026 3.075 -0.813 1.00 0.00 C ATOM 430 CD2 PHE A 29 5.722 2.508 -1.017 1.00 0.00 C ATOM 431 CE1 PHE A 29 8.160 2.169 0.223 1.00 0.00 C ATOM 432 CE2 PHE A 29 5.850 1.598 0.012 1.00 0.00 C ATOM 433 CZ PHE A 29 7.069 1.428 0.632 1.00 0.00 C ATOM 0 H PHE A 29 6.119 5.279 -4.754 1.00 0.00 H new ATOM 0 HA PHE A 29 8.232 3.665 -3.909 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.206 5.131 -2.354 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.603 4.500 -2.674 1.00 0.00 H new ATOM 0 HD1 PHE A 29 8.882 3.648 -1.136 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.764 2.638 -1.498 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.115 2.041 0.711 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.996 1.019 0.331 1.00 0.00 H new ATOM 0 HZ PHE A 29 7.171 0.716 1.437 1.00 0.00 H new ATOM 443 N PHE A 30 5.448 2.072 -4.642 1.00 0.00 N ATOM 444 CA PHE A 30 4.871 0.756 -4.888 1.00 0.00 C ATOM 445 C PHE A 30 5.837 -0.086 -5.707 1.00 0.00 C ATOM 446 O PHE A 30 5.879 -1.310 -5.585 1.00 0.00 O ATOM 447 CB PHE A 30 3.551 0.893 -5.648 1.00 0.00 C ATOM 448 CG PHE A 30 2.481 -0.061 -5.191 1.00 0.00 C ATOM 449 CD1 PHE A 30 2.519 -1.399 -5.554 1.00 0.00 C ATOM 450 CD2 PHE A 30 1.435 0.384 -4.400 1.00 0.00 C ATOM 451 CE1 PHE A 30 1.536 -2.273 -5.132 1.00 0.00 C ATOM 452 CE2 PHE A 30 0.449 -0.486 -3.976 1.00 0.00 C ATOM 453 CZ PHE A 30 0.500 -1.816 -4.342 1.00 0.00 C ATOM 0 H PHE A 30 4.847 2.852 -4.910 1.00 0.00 H new ATOM 0 HA PHE A 30 4.685 0.271 -3.930 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.185 1.914 -5.538 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.737 0.733 -6.710 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.326 -1.762 -6.173 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.389 1.424 -4.111 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.578 -3.313 -5.420 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.361 -0.126 -3.359 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.269 -2.498 -4.011 1.00 0.00 H new ATOM 463 N GLN A 31 6.609 0.593 -6.544 1.00 0.00 N ATOM 464 CA GLN A 31 7.580 -0.063 -7.400 1.00 0.00 C ATOM 465 C GLN A 31 8.901 -0.309 -6.664 1.00 0.00 C ATOM 466 O GLN A 31 9.509 -1.370 -6.797 1.00 0.00 O ATOM 467 CB GLN A 31 7.805 0.790 -8.647 1.00 0.00 C ATOM 468 CG GLN A 31 6.517 1.356 -9.231 1.00 0.00 C ATOM 469 CD GLN A 31 6.749 2.131 -10.514 1.00 0.00 C ATOM 470 OE1 GLN A 31 7.665 1.830 -11.279 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.914 3.136 -10.754 1.00 0.00 N ATOM 0 H GLN A 31 6.579 1.607 -6.647 1.00 0.00 H new ATOM 0 HA GLN A 31 7.189 -1.038 -7.691 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.476 1.613 -8.400 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.305 0.188 -9.405 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.821 0.540 -9.425 1.00 0.00 H new ATOM 0 HG3 GLN A 31 6.046 2.009 -8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.169 3.349 -10.091 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.018 3.694 -11.601 1.00 0.00 H new ATOM 480 N MET A 32 9.336 0.681 -5.889 1.00 0.00 N ATOM 481 CA MET A 32 10.591 0.582 -5.132 1.00 0.00 C ATOM 482 C MET A 32 10.449 -0.379 -3.965 1.00 0.00 C ATOM 483 O MET A 32 11.375 -1.112 -3.622 1.00 0.00 O ATOM 484 CB MET A 32 11.012 1.941 -4.590 1.00 0.00 C ATOM 485 CG MET A 32 10.554 3.099 -5.440 1.00 0.00 C ATOM 486 SD MET A 32 10.893 2.862 -7.196 1.00 0.00 S ATOM 487 CE MET A 32 12.676 2.685 -7.172 1.00 0.00 C ATOM 0 H MET A 32 8.841 1.564 -5.765 1.00 0.00 H new ATOM 0 HA MET A 32 11.350 0.212 -5.821 1.00 0.00 H new ATOM 0 HB2 MET A 32 10.613 2.060 -3.583 1.00 0.00 H new ATOM 0 HB3 MET A 32 12.099 1.969 -4.508 1.00 0.00 H new ATOM 0 HG2 MET A 32 9.483 3.245 -5.299 1.00 0.00 H new ATOM 0 HG3 MET A 32 11.047 4.010 -5.100 1.00 0.00 H new ATOM 0 HE1 MET A 32 13.056 2.691 -8.194 1.00 0.00 H new ATOM 0 HE2 MET A 32 13.116 3.513 -6.616 1.00 0.00 H new ATOM 0 HE3 MET A 32 12.942 1.743 -6.692 1.00 0.00 H new ATOM 497 N VAL A 33 9.268 -0.360 -3.365 1.00 0.00 N ATOM 498 CA VAL A 33 8.963 -1.200 -2.219 1.00 0.00 C ATOM 499 C VAL A 33 9.009 -2.677 -2.583 1.00 0.00 C ATOM 500 O VAL A 33 9.199 -3.536 -1.723 1.00 0.00 O ATOM 501 CB VAL A 33 7.568 -0.860 -1.669 1.00 0.00 C ATOM 502 CG1 VAL A 33 6.514 -1.124 -2.723 1.00 0.00 C ATOM 503 CG2 VAL A 33 7.277 -1.669 -0.434 1.00 0.00 C ATOM 0 H VAL A 33 8.496 0.238 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 33 9.720 -1.006 -1.459 1.00 0.00 H new ATOM 0 HB VAL A 33 7.548 0.197 -1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.530 -0.880 -2.323 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.713 -0.507 -3.599 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.539 -2.176 -3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.286 -1.416 -0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.312 -2.731 -0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.022 -1.447 0.330 1.00 0.00 H new ATOM 513 N GLY A 34 8.835 -2.962 -3.864 1.00 0.00 N ATOM 514 CA GLY A 34 8.878 -4.333 -4.335 1.00 0.00 C ATOM 515 C GLY A 34 7.549 -5.052 -4.218 1.00 0.00 C ATOM 516 O GLY A 34 7.513 -6.273 -4.060 1.00 0.00 O ATOM 0 H GLY A 34 8.664 -2.266 -4.590 1.00 0.00 H new ATOM 0 HA2 GLY A 34 9.197 -4.341 -5.377 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.630 -4.881 -3.767 1.00 0.00 H new ATOM 520 N LEU A 35 6.453 -4.305 -4.297 1.00 0.00 N ATOM 521 CA LEU A 35 5.124 -4.901 -4.209 1.00 0.00 C ATOM 522 C LEU A 35 4.770 -5.595 -5.516 1.00 0.00 C ATOM 523 O LEU A 35 4.034 -6.579 -5.528 1.00 0.00 O ATOM 524 CB LEU A 35 4.078 -3.842 -3.867 1.00 0.00 C ATOM 525 CG LEU A 35 3.538 -3.915 -2.437 1.00 0.00 C ATOM 526 CD1 LEU A 35 4.095 -2.782 -1.591 1.00 0.00 C ATOM 527 CD2 LEU A 35 2.020 -3.882 -2.443 1.00 0.00 C ATOM 0 H LEU A 35 6.457 -3.293 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 35 5.132 -5.643 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 35 4.514 -2.856 -4.026 1.00 0.00 H new ATOM 0 HB3 LEU A 35 3.243 -3.938 -4.561 1.00 0.00 H new ATOM 0 HG LEU A 35 3.862 -4.857 -1.996 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.697 -2.854 -0.579 1.00 0.00 H new ATOM 0 HD12 LEU A 35 5.182 -2.852 -1.560 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.805 -1.826 -2.027 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.651 -3.935 -1.419 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.678 -2.956 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 35 1.640 -4.732 -3.010 1.00 0.00 H new ATOM 539 N LYS A 36 5.305 -5.081 -6.620 1.00 0.00 N ATOM 540 CA LYS A 36 5.055 -5.666 -7.920 1.00 0.00 C ATOM 541 C LYS A 36 5.982 -6.856 -8.156 1.00 0.00 C ATOM 542 O LYS A 36 5.735 -7.679 -9.037 1.00 0.00 O ATOM 543 CB LYS A 36 5.269 -4.623 -9.008 1.00 0.00 C ATOM 544 CG LYS A 36 4.570 -3.304 -8.756 1.00 0.00 C ATOM 545 CD LYS A 36 5.030 -2.265 -9.762 1.00 0.00 C ATOM 546 CE LYS A 36 6.544 -2.117 -9.766 1.00 0.00 C ATOM 547 NZ LYS A 36 7.169 -2.839 -10.909 1.00 0.00 N ATOM 0 H LYS A 36 5.913 -4.262 -6.633 1.00 0.00 H new ATOM 0 HA LYS A 36 4.022 -6.014 -7.952 1.00 0.00 H new ATOM 0 HB2 LYS A 36 6.338 -4.439 -9.113 1.00 0.00 H new ATOM 0 HB3 LYS A 36 4.921 -5.029 -9.958 1.00 0.00 H new ATOM 0 HG2 LYS A 36 3.491 -3.437 -8.828 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.782 -2.959 -7.744 1.00 0.00 H new ATOM 0 HD2 LYS A 36 4.689 -2.547 -10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 36 4.571 -1.304 -9.529 1.00 0.00 H new ATOM 0 HE2 LYS A 36 6.805 -1.060 -9.817 1.00 0.00 H new ATOM 0 HE3 LYS A 36 6.949 -2.500 -8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 8.122 -3.156 -10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 6.587 -3.664 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 7.235 -2.202 -11.728 1.00 0.00 H new ATOM 561 N LYS A 37 7.056 -6.944 -7.359 1.00 0.00 N ATOM 562 CA LYS A 37 8.021 -8.032 -7.479 1.00 0.00 C ATOM 563 C LYS A 37 7.327 -9.374 -7.697 1.00 0.00 C ATOM 564 O LYS A 37 7.879 -10.273 -8.329 1.00 0.00 O ATOM 565 CB LYS A 37 8.907 -8.095 -6.228 1.00 0.00 C ATOM 566 CG LYS A 37 9.990 -9.158 -6.311 1.00 0.00 C ATOM 567 CD LYS A 37 10.550 -9.497 -4.939 1.00 0.00 C ATOM 568 CE LYS A 37 11.723 -10.458 -5.040 1.00 0.00 C ATOM 569 NZ LYS A 37 11.351 -11.717 -5.743 1.00 0.00 N ATOM 0 H LYS A 37 7.274 -6.270 -6.625 1.00 0.00 H new ATOM 0 HA LYS A 37 8.643 -7.830 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 37 9.374 -7.122 -6.072 1.00 0.00 H new ATOM 0 HB3 LYS A 37 8.281 -8.291 -5.357 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.582 -10.058 -6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 37 10.795 -8.808 -6.957 1.00 0.00 H new ATOM 0 HD2 LYS A 37 10.869 -8.583 -4.439 1.00 0.00 H new ATOM 0 HD3 LYS A 37 9.767 -9.940 -4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 37 12.543 -9.975 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 37 12.086 -10.694 -4.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.113 -12.416 -5.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 10.471 -12.095 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 11.209 -11.521 -6.754 1.00 0.00 H new ATOM 583 N LYS A 38 6.114 -9.498 -7.172 1.00 0.00 N ATOM 584 CA LYS A 38 5.347 -10.725 -7.316 1.00 0.00 C ATOM 585 C LYS A 38 3.917 -10.430 -7.752 1.00 0.00 C ATOM 586 O LYS A 38 3.594 -9.306 -8.134 1.00 0.00 O ATOM 587 CB LYS A 38 5.341 -11.490 -5.998 1.00 0.00 C ATOM 588 CG LYS A 38 6.720 -11.850 -5.498 1.00 0.00 C ATOM 589 CD LYS A 38 6.637 -12.947 -4.460 1.00 0.00 C ATOM 590 CE LYS A 38 8.016 -13.425 -4.049 1.00 0.00 C ATOM 591 NZ LYS A 38 8.726 -14.102 -5.168 1.00 0.00 N ATOM 0 H LYS A 38 5.642 -8.764 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 38 5.819 -11.334 -8.087 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.836 -10.889 -5.242 1.00 0.00 H new ATOM 0 HB3 LYS A 38 4.759 -12.403 -6.121 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.342 -12.176 -6.332 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.199 -10.970 -5.068 1.00 0.00 H new ATOM 0 HD2 LYS A 38 6.101 -12.581 -3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 38 6.064 -13.784 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.607 -12.576 -3.705 1.00 0.00 H new ATOM 0 HE3 LYS A 38 7.926 -14.112 -3.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.549 -14.617 -4.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.081 -14.771 -5.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.045 -13.391 -5.857 1.00 0.00 H new ATOM 605 N SER A 39 3.064 -11.447 -7.695 1.00 0.00 N ATOM 606 CA SER A 39 1.667 -11.290 -8.078 1.00 0.00 C ATOM 607 C SER A 39 0.878 -10.606 -6.968 1.00 0.00 C ATOM 608 O SER A 39 1.364 -10.467 -5.844 1.00 0.00 O ATOM 609 CB SER A 39 1.048 -12.651 -8.399 1.00 0.00 C ATOM 610 OG SER A 39 -0.308 -12.516 -8.793 1.00 0.00 O ATOM 0 H SER A 39 3.315 -12.387 -7.388 1.00 0.00 H new ATOM 0 HA SER A 39 1.626 -10.664 -8.969 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.615 -13.133 -9.196 1.00 0.00 H new ATOM 0 HB3 SER A 39 1.113 -13.299 -7.525 1.00 0.00 H new ATOM 0 HG SER A 39 -0.872 -13.076 -8.220 1.00 0.00 H new ATOM 616 N ALA A 40 -0.337 -10.177 -7.285 1.00 0.00 N ATOM 617 CA ALA A 40 -1.185 -9.510 -6.311 1.00 0.00 C ATOM 618 C ALA A 40 -1.417 -10.394 -5.087 1.00 0.00 C ATOM 619 O ALA A 40 -1.760 -9.903 -4.013 1.00 0.00 O ATOM 620 CB ALA A 40 -2.507 -9.134 -6.956 1.00 0.00 C ATOM 0 H ALA A 40 -0.755 -10.280 -8.209 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.681 -8.604 -5.974 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.140 -8.634 -6.223 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -2.324 -8.463 -7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.007 -10.034 -7.313 1.00 0.00 H new ATOM 626 N ASP A 41 -1.228 -11.701 -5.256 1.00 0.00 N ATOM 627 CA ASP A 41 -1.420 -12.643 -4.161 1.00 0.00 C ATOM 628 C ASP A 41 -0.350 -12.461 -3.088 1.00 0.00 C ATOM 629 O ASP A 41 -0.608 -12.666 -1.902 1.00 0.00 O ATOM 630 CB ASP A 41 -1.395 -14.082 -4.681 1.00 0.00 C ATOM 631 CG ASP A 41 -2.351 -14.299 -5.838 1.00 0.00 C ATOM 632 OD1 ASP A 41 -3.551 -14.530 -5.581 1.00 0.00 O ATOM 633 OD2 ASP A 41 -1.899 -14.237 -7.000 1.00 0.00 O ATOM 0 H ASP A 41 -0.943 -12.128 -6.137 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.394 -12.443 -3.716 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -0.383 -14.332 -4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.652 -14.763 -3.869 1.00 0.00 H new ATOM 638 N ASP A 42 0.853 -12.079 -3.511 1.00 0.00 N ATOM 639 CA ASP A 42 1.951 -11.866 -2.576 1.00 0.00 C ATOM 640 C ASP A 42 1.735 -10.580 -1.782 1.00 0.00 C ATOM 641 O ASP A 42 1.785 -10.583 -0.552 1.00 0.00 O ATOM 642 CB ASP A 42 3.282 -11.813 -3.324 1.00 0.00 C ATOM 643 CG ASP A 42 3.538 -13.079 -4.117 1.00 0.00 C ATOM 644 OD1 ASP A 42 2.968 -13.212 -5.222 1.00 0.00 O ATOM 645 OD2 ASP A 42 4.298 -13.941 -3.630 1.00 0.00 O ATOM 0 H ASP A 42 1.090 -11.912 -4.489 1.00 0.00 H new ATOM 0 HA ASP A 42 1.978 -12.702 -1.877 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.285 -10.956 -3.998 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.093 -11.661 -2.611 1.00 0.00 H new ATOM 650 N VAL A 43 1.494 -9.483 -2.492 1.00 0.00 N ATOM 651 CA VAL A 43 1.249 -8.199 -1.850 1.00 0.00 C ATOM 652 C VAL A 43 0.140 -8.336 -0.814 1.00 0.00 C ATOM 653 O VAL A 43 0.176 -7.717 0.244 1.00 0.00 O ATOM 654 CB VAL A 43 0.856 -7.124 -2.878 1.00 0.00 C ATOM 655 CG1 VAL A 43 2.043 -6.776 -3.767 1.00 0.00 C ATOM 656 CG2 VAL A 43 -0.324 -7.602 -3.708 1.00 0.00 C ATOM 0 H VAL A 43 1.463 -9.458 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 43 2.174 -7.889 -1.363 1.00 0.00 H new ATOM 0 HB VAL A 43 0.559 -6.220 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.747 -6.014 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.859 -6.396 -3.152 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.374 -7.669 -4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -0.594 -6.834 -4.432 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.052 -8.517 -4.234 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.173 -7.798 -3.054 1.00 0.00 H new ATOM 666 N LYS A 44 -0.835 -9.175 -1.128 1.00 0.00 N ATOM 667 CA LYS A 44 -1.966 -9.422 -0.243 1.00 0.00 C ATOM 668 C LYS A 44 -1.496 -9.742 1.173 1.00 0.00 C ATOM 669 O LYS A 44 -2.213 -9.511 2.140 1.00 0.00 O ATOM 670 CB LYS A 44 -2.818 -10.573 -0.780 1.00 0.00 C ATOM 671 CG LYS A 44 -3.884 -10.136 -1.769 1.00 0.00 C ATOM 672 CD LYS A 44 -4.689 -11.322 -2.276 1.00 0.00 C ATOM 673 CE LYS A 44 -5.374 -12.057 -1.136 1.00 0.00 C ATOM 674 NZ LYS A 44 -6.259 -13.148 -1.630 1.00 0.00 N ATOM 0 H LYS A 44 -0.866 -9.703 -2.000 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.569 -8.515 -0.208 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.166 -11.302 -1.261 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.298 -11.079 0.058 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.552 -9.418 -1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.415 -9.626 -2.610 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -5.437 -10.977 -2.990 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -4.031 -12.008 -2.810 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -4.620 -12.475 -0.469 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -5.962 -11.350 -0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.707 -13.624 -0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.994 -12.746 -2.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.694 -13.836 -2.168 1.00 0.00 H new ATOM 688 N LYS A 45 -0.297 -10.288 1.289 1.00 0.00 N ATOM 689 CA LYS A 45 0.240 -10.669 2.585 1.00 0.00 C ATOM 690 C LYS A 45 0.271 -9.480 3.534 1.00 0.00 C ATOM 691 O LYS A 45 -0.179 -9.583 4.677 1.00 0.00 O ATOM 692 CB LYS A 45 1.642 -11.257 2.430 1.00 0.00 C ATOM 693 CG LYS A 45 1.644 -12.758 2.180 1.00 0.00 C ATOM 694 CD LYS A 45 0.695 -13.139 1.054 1.00 0.00 C ATOM 695 CE LYS A 45 0.620 -14.648 0.876 1.00 0.00 C ATOM 696 NZ LYS A 45 0.215 -15.335 2.132 1.00 0.00 N ATOM 0 H LYS A 45 0.323 -10.477 0.502 1.00 0.00 H new ATOM 0 HA LYS A 45 -0.415 -11.429 3.011 1.00 0.00 H new ATOM 0 HB2 LYS A 45 2.148 -10.758 1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 45 2.218 -11.045 3.331 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.654 -13.085 1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.355 -13.280 3.092 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.300 -12.747 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 45 1.028 -12.678 0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.093 -14.885 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.591 -15.024 0.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.102 -16.301 1.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 1.026 -15.376 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -0.562 -14.809 2.580 1.00 0.00 H new ATOM 710 N VAL A 46 0.795 -8.348 3.071 1.00 0.00 N ATOM 711 CA VAL A 46 0.851 -7.170 3.916 1.00 0.00 C ATOM 712 C VAL A 46 -0.553 -6.776 4.358 1.00 0.00 C ATOM 713 O VAL A 46 -0.737 -6.172 5.415 1.00 0.00 O ATOM 714 CB VAL A 46 1.557 -5.971 3.239 1.00 0.00 C ATOM 715 CG1 VAL A 46 0.687 -5.322 2.176 1.00 0.00 C ATOM 716 CG2 VAL A 46 1.970 -4.955 4.289 1.00 0.00 C ATOM 0 H VAL A 46 1.179 -8.227 2.134 1.00 0.00 H new ATOM 0 HA VAL A 46 1.452 -7.434 4.786 1.00 0.00 H new ATOM 0 HB VAL A 46 2.446 -6.349 2.735 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.223 -4.485 1.728 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.447 -6.054 1.405 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.235 -4.960 2.631 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.466 -4.114 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.086 -4.599 4.819 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.654 -5.422 4.998 1.00 0.00 H new ATOM 726 N PHE A 47 -1.547 -7.130 3.539 1.00 0.00 N ATOM 727 CA PHE A 47 -2.941 -6.824 3.846 1.00 0.00 C ATOM 728 C PHE A 47 -3.259 -7.193 5.287 1.00 0.00 C ATOM 729 O PHE A 47 -3.931 -6.452 5.998 1.00 0.00 O ATOM 730 CB PHE A 47 -3.876 -7.593 2.923 1.00 0.00 C ATOM 731 CG PHE A 47 -5.310 -7.146 2.973 1.00 0.00 C ATOM 732 CD1 PHE A 47 -5.641 -5.801 3.004 1.00 0.00 C ATOM 733 CD2 PHE A 47 -6.332 -8.082 2.975 1.00 0.00 C ATOM 734 CE1 PHE A 47 -6.965 -5.399 3.036 1.00 0.00 C ATOM 735 CE2 PHE A 47 -7.656 -7.687 3.009 1.00 0.00 C ATOM 736 CZ PHE A 47 -7.972 -6.345 3.040 1.00 0.00 C ATOM 0 H PHE A 47 -1.409 -7.628 2.660 1.00 0.00 H new ATOM 0 HA PHE A 47 -3.088 -5.754 3.700 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -3.515 -7.497 1.899 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.830 -8.651 3.180 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.857 -5.058 3.003 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.091 -9.134 2.950 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.211 -4.348 3.058 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.442 -8.428 3.011 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.006 -6.034 3.067 1.00 0.00 H new ATOM 746 N HIS A 48 -2.775 -8.359 5.701 1.00 0.00 N ATOM 747 CA HIS A 48 -2.989 -8.839 7.056 1.00 0.00 C ATOM 748 C HIS A 48 -2.086 -8.083 8.016 1.00 0.00 C ATOM 749 O HIS A 48 -2.467 -7.796 9.151 1.00 0.00 O ATOM 750 CB HIS A 48 -2.718 -10.340 7.140 1.00 0.00 C ATOM 751 CG HIS A 48 -3.385 -11.130 6.059 1.00 0.00 C ATOM 752 ND1 HIS A 48 -4.709 -11.513 6.114 1.00 0.00 N ATOM 753 CD2 HIS A 48 -2.907 -11.606 4.883 1.00 0.00 C ATOM 754 CE1 HIS A 48 -5.015 -12.192 5.021 1.00 0.00 C ATOM 755 NE2 HIS A 48 -3.939 -12.262 4.260 1.00 0.00 N ATOM 0 H HIS A 48 -2.230 -8.989 5.113 1.00 0.00 H new ATOM 0 HA HIS A 48 -4.028 -8.664 7.334 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -1.642 -10.510 7.092 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -3.056 -10.708 8.109 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -1.901 -11.490 4.507 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -5.981 -12.617 4.791 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -3.883 -12.729 3.355 1.00 0.00 H new ATOM 764 N ILE A 49 -0.884 -7.765 7.549 1.00 0.00 N ATOM 765 CA ILE A 49 0.068 -7.023 8.353 1.00 0.00 C ATOM 766 C ILE A 49 -0.538 -5.689 8.748 1.00 0.00 C ATOM 767 O ILE A 49 -0.538 -5.309 9.919 1.00 0.00 O ATOM 768 CB ILE A 49 1.371 -6.764 7.579 1.00 0.00 C ATOM 769 CG1 ILE A 49 1.951 -8.077 7.054 1.00 0.00 C ATOM 770 CG2 ILE A 49 2.380 -6.047 8.461 1.00 0.00 C ATOM 771 CD1 ILE A 49 2.305 -9.061 8.145 1.00 0.00 C ATOM 0 H ILE A 49 -0.550 -8.011 6.617 1.00 0.00 H new ATOM 0 HA ILE A 49 0.299 -7.617 9.237 1.00 0.00 H new ATOM 0 HB ILE A 49 1.145 -6.124 6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.230 -8.539 6.379 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.844 -7.861 6.467 1.00 0.00 H new ATOM 0 HG21 ILE A 49 3.296 -5.872 7.897 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.966 -5.093 8.786 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.603 -6.662 9.333 1.00 0.00 H new ATOM 0 HD11 ILE A 49 2.711 -9.969 7.699 1.00 0.00 H new ATOM 0 HD12 ILE A 49 3.049 -8.618 8.807 1.00 0.00 H new ATOM 0 HD13 ILE A 49 1.411 -9.307 8.718 1.00 0.00 H new ATOM 783 N LEU A 50 -1.057 -4.984 7.750 1.00 0.00 N ATOM 784 CA LEU A 50 -1.681 -3.699 7.963 1.00 0.00 C ATOM 785 C LEU A 50 -3.110 -3.869 8.471 1.00 0.00 C ATOM 786 O LEU A 50 -3.542 -3.156 9.371 1.00 0.00 O ATOM 787 CB LEU A 50 -1.657 -2.915 6.658 1.00 0.00 C ATOM 788 CG LEU A 50 -2.497 -3.505 5.526 1.00 0.00 C ATOM 789 CD1 LEU A 50 -3.909 -2.935 5.551 1.00 0.00 C ATOM 790 CD2 LEU A 50 -1.837 -3.241 4.182 1.00 0.00 C ATOM 0 H LEU A 50 -1.054 -5.291 6.777 1.00 0.00 H new ATOM 0 HA LEU A 50 -1.128 -3.148 8.724 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.005 -1.901 6.856 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.624 -2.837 6.319 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.562 -4.583 5.672 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.491 -3.368 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -4.382 -3.176 6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.867 -1.852 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -2.448 -3.668 3.387 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.741 -2.166 4.029 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.848 -3.700 4.166 1.00 0.00 H new ATOM 802 N ASP A 51 -3.838 -4.827 7.899 1.00 0.00 N ATOM 803 CA ASP A 51 -5.218 -5.077 8.308 1.00 0.00 C ATOM 804 C ASP A 51 -5.358 -6.449 8.961 1.00 0.00 C ATOM 805 O ASP A 51 -5.510 -7.457 8.277 1.00 0.00 O ATOM 806 CB ASP A 51 -6.156 -4.982 7.106 1.00 0.00 C ATOM 807 CG ASP A 51 -6.941 -3.686 7.084 1.00 0.00 C ATOM 808 OD1 ASP A 51 -7.995 -3.616 7.752 1.00 0.00 O ATOM 809 OD2 ASP A 51 -6.502 -2.738 6.398 1.00 0.00 O ATOM 0 H ASP A 51 -3.498 -5.438 7.157 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.491 -4.316 9.039 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -5.575 -5.067 6.188 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.849 -5.823 7.123 1.00 0.00 H new ATOM 814 N LYS A 52 -5.339 -6.475 10.289 1.00 0.00 N ATOM 815 CA LYS A 52 -5.446 -7.727 11.030 1.00 0.00 C ATOM 816 C LYS A 52 -6.846 -8.304 10.885 1.00 0.00 C ATOM 817 O LYS A 52 -7.015 -9.485 10.580 1.00 0.00 O ATOM 818 CB LYS A 52 -5.114 -7.491 12.500 1.00 0.00 C ATOM 819 CG LYS A 52 -6.170 -6.685 13.234 1.00 0.00 C ATOM 820 CD LYS A 52 -5.755 -6.373 14.661 1.00 0.00 C ATOM 821 CE LYS A 52 -5.520 -7.639 15.467 1.00 0.00 C ATOM 822 NZ LYS A 52 -5.086 -7.339 16.860 1.00 0.00 N ATOM 0 H LYS A 52 -5.251 -5.644 10.874 1.00 0.00 H new ATOM 0 HA LYS A 52 -4.734 -8.444 10.622 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.992 -8.454 12.996 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.158 -6.973 12.570 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.354 -5.754 12.698 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.109 -7.239 13.242 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.845 -5.773 14.652 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.528 -5.773 15.142 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -6.436 -8.229 15.491 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.762 -8.248 14.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.936 -8.229 17.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.198 -6.798 16.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -5.820 -6.780 17.340 1.00 0.00 H new ATOM 836 N ASP A 53 -7.844 -7.461 11.104 1.00 0.00 N ATOM 837 CA ASP A 53 -9.229 -7.867 10.964 1.00 0.00 C ATOM 838 C ASP A 53 -9.533 -8.149 9.509 1.00 0.00 C ATOM 839 O ASP A 53 -10.503 -8.837 9.198 1.00 0.00 O ATOM 840 CB ASP A 53 -10.157 -6.771 11.488 1.00 0.00 C ATOM 841 CG ASP A 53 -9.994 -6.537 12.978 1.00 0.00 C ATOM 842 OD1 ASP A 53 -9.081 -5.776 13.364 1.00 0.00 O ATOM 843 OD2 ASP A 53 -10.776 -7.119 13.759 1.00 0.00 O ATOM 0 H ASP A 53 -7.716 -6.488 11.381 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.393 -8.773 11.548 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -9.956 -5.843 10.953 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -11.191 -7.043 11.277 1.00 0.00 H new ATOM 848 N LYS A 54 -8.702 -7.594 8.617 1.00 0.00 N ATOM 849 CA LYS A 54 -8.878 -7.723 7.174 1.00 0.00 C ATOM 850 C LYS A 54 -9.894 -6.699 6.691 1.00 0.00 C ATOM 851 O LYS A 54 -9.759 -6.138 5.602 1.00 0.00 O ATOM 852 CB LYS A 54 -9.303 -9.125 6.765 1.00 0.00 C ATOM 853 CG LYS A 54 -9.363 -9.303 5.260 1.00 0.00 C ATOM 854 CD LYS A 54 -9.910 -10.669 4.879 1.00 0.00 C ATOM 855 CE LYS A 54 -10.038 -10.814 3.370 1.00 0.00 C ATOM 856 NZ LYS A 54 -10.598 -12.138 2.985 1.00 0.00 N ATOM 0 H LYS A 54 -7.887 -7.042 8.883 1.00 0.00 H new ATOM 0 HA LYS A 54 -7.912 -7.536 6.704 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -8.604 -9.849 7.185 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.282 -9.342 7.192 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.991 -8.525 4.826 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.365 -9.179 4.838 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -9.252 -11.447 5.266 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.885 -10.815 5.344 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.679 -10.022 2.982 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.059 -10.686 2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.669 -12.197 1.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.973 -12.893 3.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.543 -12.250 3.404 1.00 0.00 H new ATOM 870 N SER A 55 -10.901 -6.453 7.525 1.00 0.00 N ATOM 871 CA SER A 55 -11.964 -5.505 7.256 1.00 0.00 C ATOM 872 C SER A 55 -12.823 -5.886 6.038 1.00 0.00 C ATOM 873 O SER A 55 -14.047 -5.968 6.136 1.00 0.00 O ATOM 874 CB SER A 55 -11.389 -4.100 7.070 1.00 0.00 C ATOM 875 OG SER A 55 -12.415 -3.160 6.807 1.00 0.00 O ATOM 0 H SER A 55 -10.997 -6.921 8.426 1.00 0.00 H new ATOM 0 HA SER A 55 -12.622 -5.525 8.125 1.00 0.00 H new ATOM 0 HB2 SER A 55 -10.843 -3.806 7.966 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.674 -4.102 6.247 1.00 0.00 H new ATOM 0 HG SER A 55 -12.222 -2.692 5.968 1.00 0.00 H new ATOM 881 N GLY A 56 -12.173 -6.114 4.897 1.00 0.00 N ATOM 882 CA GLY A 56 -12.873 -6.449 3.668 1.00 0.00 C ATOM 883 C GLY A 56 -12.941 -5.251 2.735 1.00 0.00 C ATOM 884 O GLY A 56 -13.209 -5.394 1.542 1.00 0.00 O ATOM 0 H GLY A 56 -11.158 -6.071 4.804 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.365 -7.274 3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.882 -6.790 3.901 1.00 0.00 H new ATOM 888 N PHE A 57 -12.676 -4.073 3.296 1.00 0.00 N ATOM 889 CA PHE A 57 -12.639 -2.821 2.556 1.00 0.00 C ATOM 890 C PHE A 57 -11.973 -1.774 3.429 1.00 0.00 C ATOM 891 O PHE A 57 -12.385 -1.563 4.570 1.00 0.00 O ATOM 892 CB PHE A 57 -14.039 -2.340 2.156 1.00 0.00 C ATOM 893 CG PHE A 57 -14.746 -3.246 1.189 1.00 0.00 C ATOM 894 CD1 PHE A 57 -14.546 -3.114 -0.176 1.00 0.00 C ATOM 895 CD2 PHE A 57 -15.610 -4.229 1.645 1.00 0.00 C ATOM 896 CE1 PHE A 57 -15.195 -3.945 -1.069 1.00 0.00 C ATOM 897 CE2 PHE A 57 -16.262 -5.064 0.756 1.00 0.00 C ATOM 898 CZ PHE A 57 -16.055 -4.921 -0.601 1.00 0.00 C ATOM 0 H PHE A 57 -12.479 -3.964 4.291 1.00 0.00 H new ATOM 0 HA PHE A 57 -12.080 -2.981 1.634 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.648 -2.240 3.055 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.958 -1.347 1.714 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.875 -2.353 -0.546 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.776 -4.344 2.706 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.031 -3.832 -2.130 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.932 -5.827 1.123 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.565 -5.571 -1.297 1.00 0.00 H new ATOM 908 N ILE A 58 -10.951 -1.118 2.912 1.00 0.00 N ATOM 909 CA ILE A 58 -10.267 -0.098 3.682 1.00 0.00 C ATOM 910 C ILE A 58 -10.673 1.272 3.203 1.00 0.00 C ATOM 911 O ILE A 58 -10.834 1.509 2.010 1.00 0.00 O ATOM 912 CB ILE A 58 -8.738 -0.248 3.612 1.00 0.00 C ATOM 913 CG1 ILE A 58 -8.338 -1.716 3.709 1.00 0.00 C ATOM 914 CG2 ILE A 58 -8.082 0.547 4.727 1.00 0.00 C ATOM 915 CD1 ILE A 58 -6.847 -1.930 3.588 1.00 0.00 C ATOM 0 H ILE A 58 -10.580 -1.271 1.974 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.562 -0.224 4.724 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.397 0.141 2.653 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.681 -2.118 4.662 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.845 -2.278 2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.000 0.433 4.667 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.342 1.601 4.624 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.433 0.179 5.691 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -6.625 -2.994 3.665 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -6.503 -1.556 2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.336 -1.394 4.388 1.00 0.00 H new ATOM 927 N GLU A 59 -10.808 2.175 4.149 1.00 0.00 N ATOM 928 CA GLU A 59 -11.243 3.517 3.855 1.00 0.00 C ATOM 929 C GLU A 59 -10.084 4.493 3.841 1.00 0.00 C ATOM 930 O GLU A 59 -9.430 4.729 4.850 1.00 0.00 O ATOM 931 CB GLU A 59 -12.256 3.943 4.897 1.00 0.00 C ATOM 932 CG GLU A 59 -13.684 3.532 4.574 1.00 0.00 C ATOM 933 CD GLU A 59 -14.643 3.824 5.711 1.00 0.00 C ATOM 934 OE1 GLU A 59 -14.802 2.954 6.592 1.00 0.00 O ATOM 935 OE2 GLU A 59 -15.237 4.924 5.718 1.00 0.00 O ATOM 0 H GLU A 59 -10.620 1.999 5.136 1.00 0.00 H new ATOM 0 HA GLU A 59 -11.691 3.524 2.861 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -11.974 3.515 5.859 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.216 5.027 5.006 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.016 4.057 3.679 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -13.709 2.466 4.346 1.00 0.00 H new ATOM 942 N GLU A 60 -9.869 5.063 2.671 1.00 0.00 N ATOM 943 CA GLU A 60 -8.810 6.037 2.431 1.00 0.00 C ATOM 944 C GLU A 60 -8.644 6.996 3.603 1.00 0.00 C ATOM 945 O GLU A 60 -7.541 7.465 3.885 1.00 0.00 O ATOM 946 CB GLU A 60 -9.163 6.837 1.188 1.00 0.00 C ATOM 947 CG GLU A 60 -10.584 7.347 1.246 1.00 0.00 C ATOM 948 CD GLU A 60 -10.668 8.833 1.519 1.00 0.00 C ATOM 949 OE1 GLU A 60 -10.295 9.254 2.634 1.00 0.00 O ATOM 950 OE2 GLU A 60 -11.102 9.580 0.616 1.00 0.00 O ATOM 0 H GLU A 60 -10.432 4.862 1.844 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.872 5.498 2.303 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -8.477 7.678 1.088 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.034 6.213 0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.082 7.128 0.301 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -11.126 6.809 2.024 1.00 0.00 H new ATOM 957 N ASP A 61 -9.749 7.290 4.276 1.00 0.00 N ATOM 958 CA ASP A 61 -9.729 8.216 5.398 1.00 0.00 C ATOM 959 C ASP A 61 -8.963 7.629 6.579 1.00 0.00 C ATOM 960 O ASP A 61 -8.053 8.259 7.119 1.00 0.00 O ATOM 961 CB ASP A 61 -11.158 8.556 5.824 1.00 0.00 C ATOM 962 CG ASP A 61 -11.940 9.253 4.729 1.00 0.00 C ATOM 963 OD1 ASP A 61 -11.842 10.496 4.628 1.00 0.00 O ATOM 964 OD2 ASP A 61 -12.647 8.558 3.969 1.00 0.00 O ATOM 0 H ASP A 61 -10.668 6.901 4.064 1.00 0.00 H new ATOM 0 HA ASP A 61 -9.221 9.126 5.077 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -11.676 7.640 6.109 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.128 9.194 6.707 1.00 0.00 H new ATOM 969 N GLU A 62 -9.339 6.418 6.974 1.00 0.00 N ATOM 970 CA GLU A 62 -8.689 5.726 8.084 1.00 0.00 C ATOM 971 C GLU A 62 -7.467 4.954 7.596 1.00 0.00 C ATOM 972 O GLU A 62 -6.611 4.558 8.389 1.00 0.00 O ATOM 973 CB GLU A 62 -9.673 4.768 8.757 1.00 0.00 C ATOM 974 CG GLU A 62 -10.929 5.448 9.274 1.00 0.00 C ATOM 975 CD GLU A 62 -11.934 4.464 9.840 1.00 0.00 C ATOM 976 OE1 GLU A 62 -11.847 4.153 11.046 1.00 0.00 O ATOM 977 OE2 GLU A 62 -12.808 4.003 9.074 1.00 0.00 O ATOM 0 H GLU A 62 -10.096 5.891 6.539 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.363 6.472 8.809 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.957 3.993 8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.172 4.270 9.587 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -10.656 6.168 10.046 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -11.393 6.010 8.464 1.00 0.00 H new ATOM 984 N LEU A 63 -7.392 4.743 6.284 1.00 0.00 N ATOM 985 CA LEU A 63 -6.279 4.024 5.696 1.00 0.00 C ATOM 986 C LEU A 63 -4.972 4.669 6.107 1.00 0.00 C ATOM 987 O LEU A 63 -3.986 3.987 6.373 1.00 0.00 O ATOM 988 CB LEU A 63 -6.403 3.997 4.163 1.00 0.00 C ATOM 989 CG LEU A 63 -5.600 2.895 3.425 1.00 0.00 C ATOM 990 CD1 LEU A 63 -5.049 1.835 4.375 1.00 0.00 C ATOM 991 CD2 LEU A 63 -6.462 2.234 2.360 1.00 0.00 C ATOM 0 H LEU A 63 -8.091 5.062 5.613 1.00 0.00 H new ATOM 0 HA LEU A 63 -6.296 2.996 6.059 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -7.456 3.881 3.908 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -6.086 4.966 3.778 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.748 3.387 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.496 1.088 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.384 2.306 5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.874 1.353 4.900 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.884 1.463 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.336 1.782 2.828 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -6.784 2.983 1.636 1.00 0.00 H new ATOM 1003 N GLY A 64 -4.987 5.990 6.177 1.00 0.00 N ATOM 1004 CA GLY A 64 -3.805 6.735 6.563 1.00 0.00 C ATOM 1005 C GLY A 64 -3.355 6.391 7.965 1.00 0.00 C ATOM 1006 O GLY A 64 -2.194 6.584 8.319 1.00 0.00 O ATOM 0 H GLY A 64 -5.804 6.565 5.972 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.998 6.525 5.861 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -4.012 7.803 6.500 1.00 0.00 H new ATOM 1010 N SER A 65 -4.278 5.870 8.759 1.00 0.00 N ATOM 1011 CA SER A 65 -3.977 5.484 10.122 1.00 0.00 C ATOM 1012 C SER A 65 -3.317 4.116 10.110 1.00 0.00 C ATOM 1013 O SER A 65 -2.154 3.955 10.489 1.00 0.00 O ATOM 1014 CB SER A 65 -5.264 5.451 10.950 1.00 0.00 C ATOM 1015 OG SER A 65 -5.897 6.720 10.957 1.00 0.00 O ATOM 0 H SER A 65 -5.245 5.706 8.478 1.00 0.00 H new ATOM 0 HA SER A 65 -3.299 6.208 10.573 1.00 0.00 H new ATOM 0 HB2 SER A 65 -5.944 4.704 10.542 1.00 0.00 H new ATOM 0 HB3 SER A 65 -5.035 5.149 11.972 1.00 0.00 H new ATOM 0 HG SER A 65 -6.718 6.673 11.491 1.00 0.00 H new ATOM 1021 N ILE A 66 -4.071 3.140 9.634 1.00 0.00 N ATOM 1022 CA ILE A 66 -3.589 1.776 9.534 1.00 0.00 C ATOM 1023 C ILE A 66 -2.400 1.695 8.566 1.00 0.00 C ATOM 1024 O ILE A 66 -1.626 0.738 8.594 1.00 0.00 O ATOM 1025 CB ILE A 66 -4.729 0.848 9.072 1.00 0.00 C ATOM 1026 CG1 ILE A 66 -4.365 -0.618 9.295 1.00 0.00 C ATOM 1027 CG2 ILE A 66 -5.075 1.111 7.615 1.00 0.00 C ATOM 1028 CD1 ILE A 66 -4.100 -0.948 10.749 1.00 0.00 C ATOM 0 H ILE A 66 -5.029 3.271 9.308 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.249 1.450 10.517 1.00 0.00 H new ATOM 0 HB ILE A 66 -5.611 1.065 9.674 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.175 -1.248 8.927 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.480 -0.860 8.706 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -5.882 0.446 7.307 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -5.394 2.147 7.498 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -4.198 0.929 6.994 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -3.847 -2.004 10.842 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.271 -0.342 11.114 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -4.992 -0.736 11.339 1.00 0.00 H new ATOM 1040 N LEU A 67 -2.269 2.717 7.712 1.00 0.00 N ATOM 1041 CA LEU A 67 -1.178 2.800 6.739 1.00 0.00 C ATOM 1042 C LEU A 67 0.154 2.476 7.395 1.00 0.00 C ATOM 1043 O LEU A 67 1.037 1.870 6.782 1.00 0.00 O ATOM 1044 CB LEU A 67 -1.120 4.221 6.157 1.00 0.00 C ATOM 1045 CG LEU A 67 -1.065 4.324 4.630 1.00 0.00 C ATOM 1046 CD1 LEU A 67 0.311 3.929 4.124 1.00 0.00 C ATOM 1047 CD2 LEU A 67 -2.142 3.467 3.980 1.00 0.00 C ATOM 0 H LEU A 67 -2.915 3.506 7.677 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.365 2.076 5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.994 4.770 6.506 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.243 4.723 6.566 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.255 5.361 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.335 4.007 3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.061 4.594 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.526 2.902 4.419 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.077 3.561 2.896 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.997 2.424 4.263 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.124 3.801 4.315 1.00 0.00 H new ATOM 1059 N LYS A 68 0.284 2.871 8.654 1.00 0.00 N ATOM 1060 CA LYS A 68 1.512 2.656 9.391 1.00 0.00 C ATOM 1061 C LYS A 68 1.989 1.215 9.285 1.00 0.00 C ATOM 1062 O LYS A 68 3.174 0.942 9.462 1.00 0.00 O ATOM 1063 CB LYS A 68 1.312 3.038 10.846 1.00 0.00 C ATOM 1064 CG LYS A 68 0.877 4.482 11.031 1.00 0.00 C ATOM 1065 CD LYS A 68 0.217 4.692 12.380 1.00 0.00 C ATOM 1066 CE LYS A 68 -0.139 6.153 12.608 1.00 0.00 C ATOM 1067 NZ LYS A 68 -0.824 6.359 13.913 1.00 0.00 N ATOM 0 H LYS A 68 -0.450 3.342 9.183 1.00 0.00 H new ATOM 0 HA LYS A 68 2.283 3.289 8.951 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.564 2.380 11.288 1.00 0.00 H new ATOM 0 HB3 LYS A 68 2.242 2.873 11.390 1.00 0.00 H new ATOM 0 HG2 LYS A 68 1.742 5.139 10.941 1.00 0.00 H new ATOM 0 HG3 LYS A 68 0.183 4.759 10.237 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.685 4.083 12.443 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.887 4.353 13.170 1.00 0.00 H new ATOM 0 HE2 LYS A 68 0.768 6.757 12.574 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -0.784 6.500 11.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.050 7.367 14.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.702 5.802 13.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.199 6.052 14.685 1.00 0.00 H new ATOM 1081 N GLY A 69 1.072 0.289 8.991 1.00 0.00 N ATOM 1082 CA GLY A 69 1.449 -1.111 8.858 1.00 0.00 C ATOM 1083 C GLY A 69 2.742 -1.277 8.082 1.00 0.00 C ATOM 1084 O GLY A 69 3.679 -1.926 8.548 1.00 0.00 O ATOM 0 H GLY A 69 0.082 0.483 8.844 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.561 -1.553 9.848 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.651 -1.656 8.354 1.00 0.00 H new ATOM 1088 N PHE A 70 2.787 -0.686 6.894 1.00 0.00 N ATOM 1089 CA PHE A 70 3.978 -0.738 6.066 1.00 0.00 C ATOM 1090 C PHE A 70 4.800 0.543 6.232 1.00 0.00 C ATOM 1091 O PHE A 70 6.011 0.501 6.433 1.00 0.00 O ATOM 1092 CB PHE A 70 3.625 -0.965 4.586 1.00 0.00 C ATOM 1093 CG PHE A 70 2.414 -0.220 4.087 1.00 0.00 C ATOM 1094 CD1 PHE A 70 1.135 -0.668 4.382 1.00 0.00 C ATOM 1095 CD2 PHE A 70 2.556 0.913 3.297 1.00 0.00 C ATOM 1096 CE1 PHE A 70 0.023 0.002 3.906 1.00 0.00 C ATOM 1097 CE2 PHE A 70 1.446 1.584 2.814 1.00 0.00 C ATOM 1098 CZ PHE A 70 0.180 1.128 3.120 1.00 0.00 C ATOM 0 H PHE A 70 2.010 -0.166 6.485 1.00 0.00 H new ATOM 0 HA PHE A 70 4.578 -1.586 6.397 1.00 0.00 H new ATOM 0 HB2 PHE A 70 4.483 -0.678 3.978 1.00 0.00 H new ATOM 0 HB3 PHE A 70 3.465 -2.032 4.428 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.006 -1.551 4.991 1.00 0.00 H new ATOM 0 HD2 PHE A 70 3.545 1.275 3.056 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -0.967 -0.354 4.148 1.00 0.00 H new ATOM 0 HE2 PHE A 70 1.570 2.463 2.199 1.00 0.00 H new ATOM 0 HZ PHE A 70 -0.688 1.651 2.745 1.00 0.00 H new ATOM 1108 N SER A 71 4.099 1.673 6.197 1.00 0.00 N ATOM 1109 CA SER A 71 4.700 3.002 6.294 1.00 0.00 C ATOM 1110 C SER A 71 5.193 3.348 7.699 1.00 0.00 C ATOM 1111 O SER A 71 5.688 4.449 7.925 1.00 0.00 O ATOM 1112 CB SER A 71 3.706 4.062 5.826 1.00 0.00 C ATOM 1113 OG SER A 71 3.082 3.674 4.614 1.00 0.00 O ATOM 0 H SER A 71 3.084 1.693 6.099 1.00 0.00 H new ATOM 0 HA SER A 71 5.577 2.988 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 71 2.949 4.220 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 71 4.221 5.012 5.686 1.00 0.00 H new ATOM 0 HG SER A 71 3.229 2.717 4.462 1.00 0.00 H new ATOM 1119 N SER A 72 5.047 2.431 8.651 1.00 0.00 N ATOM 1120 CA SER A 72 5.478 2.699 10.025 1.00 0.00 C ATOM 1121 C SER A 72 6.882 3.314 10.073 1.00 0.00 C ATOM 1122 O SER A 72 7.233 3.986 11.043 1.00 0.00 O ATOM 1123 CB SER A 72 5.463 1.411 10.853 1.00 0.00 C ATOM 1124 OG SER A 72 6.284 1.536 12.002 1.00 0.00 O ATOM 0 H SER A 72 4.640 1.508 8.503 1.00 0.00 H new ATOM 0 HA SER A 72 4.774 3.416 10.446 1.00 0.00 H new ATOM 0 HB2 SER A 72 4.441 1.181 11.155 1.00 0.00 H new ATOM 0 HB3 SER A 72 5.811 0.578 10.242 1.00 0.00 H new ATOM 0 HG SER A 72 6.257 0.702 12.516 1.00 0.00 H new ATOM 1130 N ASP A 73 7.680 3.087 9.033 1.00 0.00 N ATOM 1131 CA ASP A 73 9.034 3.634 8.981 1.00 0.00 C ATOM 1132 C ASP A 73 9.090 4.971 8.235 1.00 0.00 C ATOM 1133 O ASP A 73 10.102 5.672 8.290 1.00 0.00 O ATOM 1134 CB ASP A 73 9.980 2.638 8.327 1.00 0.00 C ATOM 1135 CG ASP A 73 9.853 1.246 8.918 1.00 0.00 C ATOM 1136 OD1 ASP A 73 8.974 0.486 8.462 1.00 0.00 O ATOM 1137 OD2 ASP A 73 10.635 0.917 9.834 1.00 0.00 O ATOM 0 H ASP A 73 7.415 2.532 8.219 1.00 0.00 H new ATOM 0 HA ASP A 73 9.347 3.816 10.009 1.00 0.00 H new ATOM 0 HB2 ASP A 73 9.776 2.596 7.257 1.00 0.00 H new ATOM 0 HB3 ASP A 73 11.006 2.986 8.442 1.00 0.00 H new ATOM 1142 N ALA A 74 8.010 5.328 7.540 1.00 0.00 N ATOM 1143 CA ALA A 74 7.968 6.583 6.791 1.00 0.00 C ATOM 1144 C ALA A 74 6.950 7.569 7.377 1.00 0.00 C ATOM 1145 O ALA A 74 7.271 8.329 8.290 1.00 0.00 O ATOM 1146 CB ALA A 74 7.676 6.315 5.323 1.00 0.00 C ATOM 0 H ALA A 74 7.158 4.770 7.480 1.00 0.00 H new ATOM 0 HA ALA A 74 8.950 7.048 6.875 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.648 7.259 4.779 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.458 5.680 4.907 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.713 5.814 5.229 1.00 0.00 H new ATOM 1152 N ARG A 75 5.721 7.556 6.853 1.00 0.00 N ATOM 1153 CA ARG A 75 4.681 8.459 7.329 1.00 0.00 C ATOM 1154 C ARG A 75 3.293 7.881 7.053 1.00 0.00 C ATOM 1155 O ARG A 75 3.141 6.668 6.911 1.00 0.00 O ATOM 1156 CB ARG A 75 4.831 9.836 6.676 1.00 0.00 C ATOM 1157 CG ARG A 75 4.401 9.881 5.220 1.00 0.00 C ATOM 1158 CD ARG A 75 4.427 11.303 4.683 1.00 0.00 C ATOM 1159 NE ARG A 75 3.459 11.501 3.610 1.00 0.00 N ATOM 1160 CZ ARG A 75 3.039 12.696 3.210 1.00 0.00 C ATOM 1161 NH1 ARG A 75 3.521 13.795 3.776 1.00 0.00 N ATOM 1162 NH2 ARG A 75 2.139 12.795 2.243 1.00 0.00 N ATOM 0 H ARG A 75 5.427 6.931 6.102 1.00 0.00 H new ATOM 0 HA ARG A 75 4.792 8.573 8.407 1.00 0.00 H new ATOM 0 HB2 ARG A 75 4.243 10.560 7.240 1.00 0.00 H new ATOM 0 HB3 ARG A 75 5.873 10.148 6.746 1.00 0.00 H new ATOM 0 HG2 ARG A 75 5.062 9.252 4.623 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.396 9.471 5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 75 4.217 12.000 5.494 1.00 0.00 H new ATOM 0 HD3 ARG A 75 5.427 11.533 4.316 1.00 0.00 H new ATOM 0 HE ARG A 75 3.084 10.676 3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.215 13.723 4.520 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.197 14.712 3.467 1.00 0.00 H new ATOM 0 HH21 ARG A 75 1.767 11.953 1.804 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.818 13.714 1.937 1.00 0.00 H new ATOM 1176 N ASP A 76 2.285 8.748 6.978 1.00 0.00 N ATOM 1177 CA ASP A 76 0.919 8.299 6.742 1.00 0.00 C ATOM 1178 C ASP A 76 0.283 8.962 5.516 1.00 0.00 C ATOM 1179 O ASP A 76 0.533 10.130 5.220 1.00 0.00 O ATOM 1180 CB ASP A 76 0.067 8.596 7.977 1.00 0.00 C ATOM 1181 CG ASP A 76 0.572 7.882 9.217 1.00 0.00 C ATOM 1182 OD1 ASP A 76 1.508 8.402 9.859 1.00 0.00 O ATOM 1183 OD2 ASP A 76 0.030 6.806 9.544 1.00 0.00 O ATOM 0 H ASP A 76 2.389 9.758 7.077 1.00 0.00 H new ATOM 0 HA ASP A 76 0.959 7.227 6.548 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.059 9.671 8.159 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.963 8.297 7.784 1.00 0.00 H new ATOM 1188 N LEU A 77 -0.545 8.185 4.814 1.00 0.00 N ATOM 1189 CA LEU A 77 -1.274 8.657 3.635 1.00 0.00 C ATOM 1190 C LEU A 77 -1.929 10.011 3.933 1.00 0.00 C ATOM 1191 O LEU A 77 -2.734 10.123 4.857 1.00 0.00 O ATOM 1192 CB LEU A 77 -2.317 7.577 3.261 1.00 0.00 C ATOM 1193 CG LEU A 77 -3.733 8.049 2.905 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -3.803 8.463 1.455 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -4.744 6.954 3.186 1.00 0.00 C ATOM 0 H LEU A 77 -0.729 7.209 5.048 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.602 8.810 2.791 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.928 7.014 2.413 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.395 6.882 4.097 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.973 8.912 3.526 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -4.814 8.795 1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.102 9.278 1.275 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -3.543 7.615 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -5.743 7.306 2.928 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -4.503 6.075 2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -4.713 6.693 4.244 1.00 0.00 H new ATOM 1207 N SER A 78 -1.584 11.034 3.154 1.00 0.00 N ATOM 1208 CA SER A 78 -2.146 12.363 3.363 1.00 0.00 C ATOM 1209 C SER A 78 -3.260 12.647 2.361 1.00 0.00 C ATOM 1210 O SER A 78 -3.601 11.793 1.544 1.00 0.00 O ATOM 1211 CB SER A 78 -1.055 13.429 3.246 1.00 0.00 C ATOM 1212 OG SER A 78 -0.038 13.226 4.211 1.00 0.00 O ATOM 0 H SER A 78 -0.924 10.968 2.379 1.00 0.00 H new ATOM 0 HA SER A 78 -2.568 12.396 4.368 1.00 0.00 H new ATOM 0 HB2 SER A 78 -0.622 13.403 2.246 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.493 14.418 3.378 1.00 0.00 H new ATOM 0 HG SER A 78 0.648 13.919 4.114 1.00 0.00 H new ATOM 1218 N ALA A 79 -3.822 13.851 2.426 1.00 0.00 N ATOM 1219 CA ALA A 79 -4.894 14.245 1.517 1.00 0.00 C ATOM 1220 C ALA A 79 -4.530 13.904 0.079 1.00 0.00 C ATOM 1221 O ALA A 79 -5.302 13.271 -0.641 1.00 0.00 O ATOM 1222 CB ALA A 79 -5.165 15.734 1.644 1.00 0.00 C ATOM 0 H ALA A 79 -3.553 14.570 3.098 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.795 13.694 1.787 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.966 16.017 0.962 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.462 15.964 2.667 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.262 16.291 1.394 1.00 0.00 H new ATOM 1228 N LYS A 80 -3.342 14.331 -0.325 1.00 0.00 N ATOM 1229 CA LYS A 80 -2.847 14.064 -1.668 1.00 0.00 C ATOM 1230 C LYS A 80 -2.917 12.572 -1.979 1.00 0.00 C ATOM 1231 O LYS A 80 -3.454 12.168 -3.004 1.00 0.00 O ATOM 1232 CB LYS A 80 -1.405 14.550 -1.801 1.00 0.00 C ATOM 1233 CG LYS A 80 -0.798 14.277 -3.167 1.00 0.00 C ATOM 1234 CD LYS A 80 0.589 14.883 -3.292 1.00 0.00 C ATOM 1235 CE LYS A 80 0.536 16.402 -3.276 1.00 0.00 C ATOM 1236 NZ LYS A 80 1.891 17.007 -3.385 1.00 0.00 N ATOM 0 H LYS A 80 -2.701 14.866 0.261 1.00 0.00 H new ATOM 0 HA LYS A 80 -3.475 14.600 -2.379 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.371 15.622 -1.605 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -0.795 14.067 -1.038 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -0.742 13.201 -3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -1.446 14.686 -3.942 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.216 14.531 -2.473 1.00 0.00 H new ATOM 0 HD3 LYS A 80 1.054 14.544 -4.218 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.085 16.752 -4.101 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.061 16.739 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.810 18.044 -3.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 2.476 16.694 -2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 2.335 16.707 -4.276 1.00 0.00 H new ATOM 1250 N GLU A 81 -2.359 11.768 -1.081 1.00 0.00 N ATOM 1251 CA GLU A 81 -2.344 10.317 -1.238 1.00 0.00 C ATOM 1252 C GLU A 81 -3.756 9.747 -1.162 1.00 0.00 C ATOM 1253 O GLU A 81 -4.021 8.670 -1.691 1.00 0.00 O ATOM 1254 CB GLU A 81 -1.463 9.685 -0.154 1.00 0.00 C ATOM 1255 CG GLU A 81 -0.064 10.280 -0.086 1.00 0.00 C ATOM 1256 CD GLU A 81 0.786 9.655 1.002 1.00 0.00 C ATOM 1257 OE1 GLU A 81 1.339 8.558 0.768 1.00 0.00 O ATOM 1258 OE2 GLU A 81 0.900 10.260 2.089 1.00 0.00 O ATOM 0 H GLU A 81 -1.907 12.100 -0.229 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.933 10.081 -2.220 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -1.948 9.807 0.814 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.385 8.614 -0.339 1.00 0.00 H new ATOM 0 HG2 GLU A 81 0.430 10.147 -1.049 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -0.138 11.353 0.088 1.00 0.00 H new ATOM 1265 N THR A 82 -4.662 10.446 -0.491 1.00 0.00 N ATOM 1266 CA THR A 82 -6.029 9.966 -0.410 1.00 0.00 C ATOM 1267 C THR A 82 -6.611 9.942 -1.810 1.00 0.00 C ATOM 1268 O THR A 82 -7.152 8.933 -2.266 1.00 0.00 O ATOM 1269 CB THR A 82 -6.889 10.878 0.484 1.00 0.00 C ATOM 1270 OG1 THR A 82 -6.184 11.178 1.694 1.00 0.00 O ATOM 1271 CG2 THR A 82 -8.212 10.215 0.821 1.00 0.00 C ATOM 0 H THR A 82 -4.480 11.325 -0.007 1.00 0.00 H new ATOM 0 HA THR A 82 -6.029 8.968 0.028 1.00 0.00 H new ATOM 0 HB THR A 82 -7.090 11.799 -0.063 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.361 11.666 1.481 1.00 0.00 H new ATOM 0 HG21 THR A 82 -8.801 10.879 1.453 1.00 0.00 H new ATOM 0 HG22 THR A 82 -8.760 10.008 -0.098 1.00 0.00 H new ATOM 0 HG23 THR A 82 -8.026 9.280 1.350 1.00 0.00 H new ATOM 1279 N LYS A 83 -6.477 11.071 -2.486 1.00 0.00 N ATOM 1280 CA LYS A 83 -6.924 11.211 -3.856 1.00 0.00 C ATOM 1281 C LYS A 83 -5.945 10.542 -4.819 1.00 0.00 C ATOM 1282 O LYS A 83 -6.334 10.075 -5.887 1.00 0.00 O ATOM 1283 CB LYS A 83 -7.073 12.690 -4.219 1.00 0.00 C ATOM 1284 CG LYS A 83 -8.162 13.412 -3.439 1.00 0.00 C ATOM 1285 CD LYS A 83 -9.510 13.314 -4.139 1.00 0.00 C ATOM 1286 CE LYS A 83 -10.327 12.138 -3.629 1.00 0.00 C ATOM 1287 NZ LYS A 83 -10.736 12.322 -2.210 1.00 0.00 N ATOM 0 H LYS A 83 -6.055 11.914 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.893 10.720 -3.945 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -6.122 13.194 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.288 12.772 -5.284 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -8.239 12.985 -2.439 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.890 14.460 -3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -10.068 14.238 -3.985 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -9.355 13.210 -5.213 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -11.214 12.016 -4.250 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -9.743 11.222 -3.723 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.576 11.742 -2.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.959 12.030 -1.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -10.960 13.323 -2.040 1.00 0.00 H new ATOM 1301 N THR A 84 -4.663 10.520 -4.440 1.00 0.00 N ATOM 1302 CA THR A 84 -3.629 9.969 -5.304 1.00 0.00 C ATOM 1303 C THR A 84 -3.400 8.471 -5.127 1.00 0.00 C ATOM 1304 O THR A 84 -3.524 7.704 -6.081 1.00 0.00 O ATOM 1305 CB THR A 84 -2.290 10.700 -5.090 1.00 0.00 C ATOM 1306 OG1 THR A 84 -2.468 12.109 -5.278 1.00 0.00 O ATOM 1307 CG2 THR A 84 -1.233 10.190 -6.059 1.00 0.00 C ATOM 0 H THR A 84 -4.324 10.876 -3.546 1.00 0.00 H new ATOM 0 HA THR A 84 -3.998 10.123 -6.318 1.00 0.00 H new ATOM 0 HB THR A 84 -1.954 10.505 -4.072 1.00 0.00 H new ATOM 0 HG1 THR A 84 -2.654 12.533 -4.414 1.00 0.00 H new ATOM 0 HG21 THR A 84 -0.297 10.721 -5.889 1.00 0.00 H new ATOM 0 HG22 THR A 84 -1.079 9.123 -5.901 1.00 0.00 H new ATOM 0 HG23 THR A 84 -1.566 10.360 -7.083 1.00 0.00 H new ATOM 1315 N LEU A 85 -3.070 8.055 -3.912 1.00 0.00 N ATOM 1316 CA LEU A 85 -2.778 6.647 -3.653 1.00 0.00 C ATOM 1317 C LEU A 85 -4.023 5.781 -3.460 1.00 0.00 C ATOM 1318 O LEU A 85 -4.182 4.770 -4.145 1.00 0.00 O ATOM 1319 CB LEU A 85 -1.862 6.509 -2.441 1.00 0.00 C ATOM 1320 CG LEU A 85 -1.044 5.215 -2.394 1.00 0.00 C ATOM 1321 CD1 LEU A 85 -1.957 4.005 -2.281 1.00 0.00 C ATOM 1322 CD2 LEU A 85 -0.167 5.099 -3.629 1.00 0.00 C ATOM 0 H LEU A 85 -2.998 8.663 -3.096 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.279 6.277 -4.549 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.176 7.356 -2.424 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.468 6.572 -1.537 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.405 5.247 -1.512 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.355 3.097 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.549 4.080 -1.369 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -2.622 3.969 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.408 4.174 -3.581 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.794 5.091 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.515 5.949 -3.672 1.00 0.00 H new ATOM 1334 N MET A 86 -4.928 6.177 -2.564 1.00 0.00 N ATOM 1335 CA MET A 86 -6.123 5.354 -2.332 1.00 0.00 C ATOM 1336 C MET A 86 -6.962 5.278 -3.592 1.00 0.00 C ATOM 1337 O MET A 86 -7.331 4.195 -4.045 1.00 0.00 O ATOM 1338 CB MET A 86 -6.979 5.873 -1.172 1.00 0.00 C ATOM 1339 CG MET A 86 -6.180 6.302 0.047 1.00 0.00 C ATOM 1340 SD MET A 86 -5.655 4.907 1.056 1.00 0.00 S ATOM 1341 CE MET A 86 -4.193 4.364 0.175 1.00 0.00 C ATOM 0 H MET A 86 -4.866 7.028 -2.005 1.00 0.00 H new ATOM 0 HA MET A 86 -5.772 4.359 -2.060 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.570 6.719 -1.522 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.682 5.094 -0.876 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.303 6.862 -0.277 1.00 0.00 H new ATOM 0 HG3 MET A 86 -6.784 6.977 0.653 1.00 0.00 H new ATOM 0 HE1 MET A 86 -3.481 3.936 0.881 1.00 0.00 H new ATOM 0 HE2 MET A 86 -4.471 3.611 -0.562 1.00 0.00 H new ATOM 0 HE3 MET A 86 -3.736 5.215 -0.330 1.00 0.00 H new ATOM 1351 N ALA A 87 -7.252 6.437 -4.158 1.00 0.00 N ATOM 1352 CA ALA A 87 -8.030 6.513 -5.379 1.00 0.00 C ATOM 1353 C ALA A 87 -7.368 5.700 -6.491 1.00 0.00 C ATOM 1354 O ALA A 87 -8.033 5.253 -7.427 1.00 0.00 O ATOM 1355 CB ALA A 87 -8.207 7.964 -5.788 1.00 0.00 C ATOM 0 H ALA A 87 -6.958 7.341 -3.788 1.00 0.00 H new ATOM 0 HA ALA A 87 -9.016 6.084 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -8.792 8.014 -6.706 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -8.726 8.504 -4.996 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -7.230 8.417 -5.956 1.00 0.00 H new ATOM 1361 N ALA A 88 -6.048 5.511 -6.384 1.00 0.00 N ATOM 1362 CA ALA A 88 -5.295 4.759 -7.383 1.00 0.00 C ATOM 1363 C ALA A 88 -5.527 3.260 -7.225 1.00 0.00 C ATOM 1364 O ALA A 88 -6.106 2.618 -8.101 1.00 0.00 O ATOM 1365 CB ALA A 88 -3.812 5.078 -7.277 1.00 0.00 C ATOM 0 H ALA A 88 -5.483 5.870 -5.614 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.649 5.056 -8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -3.263 4.510 -8.028 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -3.656 6.144 -7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -3.452 4.809 -6.284 1.00 0.00 H new ATOM 1371 N GLY A 89 -5.075 2.702 -6.100 1.00 0.00 N ATOM 1372 CA GLY A 89 -5.257 1.278 -5.849 1.00 0.00 C ATOM 1373 C GLY A 89 -6.679 0.839 -6.139 1.00 0.00 C ATOM 1374 O GLY A 89 -6.920 -0.261 -6.635 1.00 0.00 O ATOM 0 H GLY A 89 -4.588 3.208 -5.361 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -4.566 0.707 -6.469 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.012 1.056 -4.810 1.00 0.00 H new ATOM 1378 N ASP A 90 -7.616 1.725 -5.829 1.00 0.00 N ATOM 1379 CA ASP A 90 -9.032 1.484 -6.061 1.00 0.00 C ATOM 1380 C ASP A 90 -9.454 2.103 -7.390 1.00 0.00 C ATOM 1381 O ASP A 90 -10.547 2.643 -7.515 1.00 0.00 O ATOM 1382 CB ASP A 90 -9.873 2.028 -4.907 1.00 0.00 C ATOM 1383 CG ASP A 90 -9.815 3.540 -4.787 1.00 0.00 C ATOM 1384 OD1 ASP A 90 -9.872 4.223 -5.830 1.00 0.00 O ATOM 1385 OD2 ASP A 90 -9.712 4.039 -3.646 1.00 0.00 O ATOM 0 H ASP A 90 -7.414 2.632 -5.409 1.00 0.00 H new ATOM 0 HA ASP A 90 -9.202 0.408 -6.111 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -10.910 1.720 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -9.529 1.582 -3.974 1.00 0.00 H new ATOM 1390 N LYS A 91 -8.556 2.009 -8.368 1.00 0.00 N ATOM 1391 CA LYS A 91 -8.734 2.562 -9.706 1.00 0.00 C ATOM 1392 C LYS A 91 -10.189 2.632 -10.154 1.00 0.00 C ATOM 1393 O LYS A 91 -10.590 3.582 -10.829 1.00 0.00 O ATOM 1394 CB LYS A 91 -7.972 1.655 -10.650 1.00 0.00 C ATOM 1395 CG LYS A 91 -7.776 2.219 -12.030 1.00 0.00 C ATOM 1396 CD LYS A 91 -8.980 1.967 -12.922 1.00 0.00 C ATOM 1397 CE LYS A 91 -8.705 0.870 -13.938 1.00 0.00 C ATOM 1398 NZ LYS A 91 -8.493 -0.452 -13.286 1.00 0.00 N ATOM 0 H LYS A 91 -7.662 1.534 -8.247 1.00 0.00 H new ATOM 0 HA LYS A 91 -8.371 3.590 -9.706 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -6.995 1.438 -10.217 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -8.503 0.706 -10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -7.593 3.291 -11.961 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -6.890 1.773 -12.482 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.836 1.688 -12.308 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -9.247 2.887 -13.442 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -9.542 0.802 -14.633 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -7.824 1.131 -14.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.562 -1.206 -13.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -7.550 -0.476 -12.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -9.219 -0.599 -12.556 1.00 0.00 H new ATOM 1412 N ASP A 92 -10.973 1.642 -9.781 1.00 0.00 N ATOM 1413 CA ASP A 92 -12.385 1.618 -10.158 1.00 0.00 C ATOM 1414 C ASP A 92 -13.091 2.910 -9.733 1.00 0.00 C ATOM 1415 O ASP A 92 -14.148 3.252 -10.262 1.00 0.00 O ATOM 1416 CB ASP A 92 -13.085 0.412 -9.528 1.00 0.00 C ATOM 1417 CG ASP A 92 -12.445 -0.902 -9.929 1.00 0.00 C ATOM 1418 OD1 ASP A 92 -12.793 -1.429 -11.007 1.00 0.00 O ATOM 1419 OD2 ASP A 92 -11.593 -1.406 -9.165 1.00 0.00 O ATOM 0 H ASP A 92 -10.667 0.846 -9.222 1.00 0.00 H new ATOM 0 HA ASP A 92 -12.440 1.536 -11.244 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -13.062 0.508 -8.442 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -14.134 0.408 -9.825 1.00 0.00 H new ATOM 1424 N GLY A 93 -12.499 3.624 -8.777 1.00 0.00 N ATOM 1425 CA GLY A 93 -13.059 4.884 -8.320 1.00 0.00 C ATOM 1426 C GLY A 93 -14.075 4.732 -7.206 1.00 0.00 C ATOM 1427 O GLY A 93 -15.172 5.284 -7.282 1.00 0.00 O ATOM 0 H GLY A 93 -11.636 3.349 -8.309 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -12.249 5.527 -7.976 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -13.531 5.389 -9.163 1.00 0.00 H new ATOM 1431 N ASP A 94 -13.711 3.990 -6.169 1.00 0.00 N ATOM 1432 CA ASP A 94 -14.597 3.791 -5.027 1.00 0.00 C ATOM 1433 C ASP A 94 -14.063 4.505 -3.786 1.00 0.00 C ATOM 1434 O ASP A 94 -14.750 4.590 -2.768 1.00 0.00 O ATOM 1435 CB ASP A 94 -14.763 2.300 -4.732 1.00 0.00 C ATOM 1436 CG ASP A 94 -15.435 1.554 -5.868 1.00 0.00 C ATOM 1437 OD1 ASP A 94 -16.683 1.561 -5.927 1.00 0.00 O ATOM 1438 OD2 ASP A 94 -14.714 0.964 -6.700 1.00 0.00 O ATOM 0 H ASP A 94 -12.811 3.516 -6.094 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.568 4.216 -5.282 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.784 1.860 -4.541 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -15.351 2.176 -3.823 1.00 0.00 H new ATOM 1443 N GLY A 95 -12.840 5.029 -3.877 1.00 0.00 N ATOM 1444 CA GLY A 95 -12.236 5.720 -2.755 1.00 0.00 C ATOM 1445 C GLY A 95 -11.914 4.791 -1.606 1.00 0.00 C ATOM 1446 O GLY A 95 -11.729 5.231 -0.475 1.00 0.00 O ATOM 0 H GLY A 95 -12.258 4.985 -4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.322 6.213 -3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.912 6.501 -2.407 1.00 0.00 H new ATOM 1450 N LYS A 96 -11.836 3.502 -1.903 1.00 0.00 N ATOM 1451 CA LYS A 96 -11.522 2.499 -0.894 1.00 0.00 C ATOM 1452 C LYS A 96 -10.752 1.352 -1.534 1.00 0.00 C ATOM 1453 O LYS A 96 -11.061 0.942 -2.651 1.00 0.00 O ATOM 1454 CB LYS A 96 -12.804 1.946 -0.241 1.00 0.00 C ATOM 1455 CG LYS A 96 -13.944 2.946 -0.151 1.00 0.00 C ATOM 1456 CD LYS A 96 -13.821 3.828 1.080 1.00 0.00 C ATOM 1457 CE LYS A 96 -14.844 4.950 1.058 1.00 0.00 C ATOM 1458 NZ LYS A 96 -16.235 4.435 1.199 1.00 0.00 N ATOM 0 H LYS A 96 -11.986 3.124 -2.838 1.00 0.00 H new ATOM 0 HA LYS A 96 -10.916 2.973 -0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -13.141 1.079 -0.809 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -12.564 1.596 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -13.953 3.569 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -14.894 2.413 -0.124 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -13.958 3.225 1.978 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -12.817 4.249 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -14.632 5.650 1.866 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -14.755 5.505 0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -16.900 5.234 1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -16.464 3.826 0.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -16.314 3.884 2.078 1.00 0.00 H new ATOM 1472 N ILE A 97 -9.770 0.820 -0.821 1.00 0.00 N ATOM 1473 CA ILE A 97 -8.973 -0.277 -1.348 1.00 0.00 C ATOM 1474 C ILE A 97 -9.136 -1.539 -0.513 1.00 0.00 C ATOM 1475 O ILE A 97 -8.726 -1.591 0.646 1.00 0.00 O ATOM 1476 CB ILE A 97 -7.478 0.087 -1.418 1.00 0.00 C ATOM 1477 CG1 ILE A 97 -7.275 1.343 -2.267 1.00 0.00 C ATOM 1478 CG2 ILE A 97 -6.674 -1.074 -1.988 1.00 0.00 C ATOM 1479 CD1 ILE A 97 -5.819 1.677 -2.500 1.00 0.00 C ATOM 0 H ILE A 97 -9.508 1.127 0.116 1.00 0.00 H new ATOM 0 HA ILE A 97 -9.341 -0.465 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 97 -7.124 0.290 -0.407 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -7.768 1.206 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 97 -7.761 2.187 -1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 97 -5.620 -0.800 -2.031 1.00 0.00 H new ATOM 0 HG22 ILE A 97 -6.796 -1.949 -1.350 1.00 0.00 H new ATOM 0 HG23 ILE A 97 -7.030 -1.305 -2.992 1.00 0.00 H new ATOM 0 HD11 ILE A 97 -5.745 2.578 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 97 -5.326 1.845 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 97 -5.334 0.849 -3.017 1.00 0.00 H new ATOM 1491 N GLY A 98 -9.744 -2.553 -1.116 1.00 0.00 N ATOM 1492 CA GLY A 98 -9.939 -3.812 -0.434 1.00 0.00 C ATOM 1493 C GLY A 98 -9.112 -4.914 -1.053 1.00 0.00 C ATOM 1494 O GLY A 98 -8.260 -4.654 -1.902 1.00 0.00 O ATOM 0 H GLY A 98 -10.106 -2.523 -2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -9.672 -3.702 0.617 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.994 -4.085 -0.468 1.00 0.00 H new ATOM 1498 N VAL A 99 -9.360 -6.143 -0.635 1.00 0.00 N ATOM 1499 CA VAL A 99 -8.622 -7.281 -1.167 1.00 0.00 C ATOM 1500 C VAL A 99 -8.741 -7.347 -2.688 1.00 0.00 C ATOM 1501 O VAL A 99 -7.855 -7.868 -3.368 1.00 0.00 O ATOM 1502 CB VAL A 99 -9.117 -8.608 -0.561 1.00 0.00 C ATOM 1503 CG1 VAL A 99 -10.568 -8.859 -0.937 1.00 0.00 C ATOM 1504 CG2 VAL A 99 -8.236 -9.762 -1.011 1.00 0.00 C ATOM 0 H VAL A 99 -10.061 -6.380 0.066 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.577 -7.138 -0.893 1.00 0.00 H new ATOM 0 HB VAL A 99 -9.055 -8.535 0.525 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -10.899 -9.801 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -11.188 -8.046 -0.559 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -10.659 -8.911 -2.022 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.601 -10.691 -0.573 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -8.263 -9.838 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.211 -9.586 -0.685 1.00 0.00 H new ATOM 1514 N GLU A 100 -9.841 -6.816 -3.218 1.00 0.00 N ATOM 1515 CA GLU A 100 -10.072 -6.824 -4.660 1.00 0.00 C ATOM 1516 C GLU A 100 -9.173 -5.811 -5.352 1.00 0.00 C ATOM 1517 O GLU A 100 -8.429 -6.140 -6.275 1.00 0.00 O ATOM 1518 CB GLU A 100 -11.532 -6.500 -5.015 1.00 0.00 C ATOM 1519 CG GLU A 100 -12.501 -6.568 -3.857 1.00 0.00 C ATOM 1520 CD GLU A 100 -12.539 -7.933 -3.198 1.00 0.00 C ATOM 1521 OE1 GLU A 100 -12.256 -8.935 -3.888 1.00 0.00 O ATOM 1522 OE2 GLU A 100 -12.861 -7.999 -1.993 1.00 0.00 O ATOM 0 H GLU A 100 -10.583 -6.377 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 100 -9.843 -7.832 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -11.572 -5.499 -5.445 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -11.864 -7.192 -5.788 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -12.225 -5.819 -3.114 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -13.500 -6.313 -4.210 1.00 0.00 H new ATOM 1529 N GLU A 101 -9.254 -4.571 -4.882 1.00 0.00 N ATOM 1530 CA GLU A 101 -8.469 -3.479 -5.441 1.00 0.00 C ATOM 1531 C GLU A 101 -6.969 -3.725 -5.307 1.00 0.00 C ATOM 1532 O GLU A 101 -6.183 -3.235 -6.116 1.00 0.00 O ATOM 1533 CB GLU A 101 -8.857 -2.166 -4.764 1.00 0.00 C ATOM 1534 CG GLU A 101 -10.204 -1.637 -5.219 1.00 0.00 C ATOM 1535 CD GLU A 101 -11.297 -2.687 -5.159 1.00 0.00 C ATOM 1536 OE1 GLU A 101 -11.874 -2.884 -4.070 1.00 0.00 O ATOM 1537 OE2 GLU A 101 -11.572 -3.315 -6.204 1.00 0.00 O ATOM 0 H GLU A 101 -9.861 -4.297 -4.109 1.00 0.00 H new ATOM 0 HA GLU A 101 -8.690 -3.419 -6.507 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -8.877 -2.313 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.091 -1.418 -4.970 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.486 -0.789 -4.595 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -10.118 -1.266 -6.240 1.00 0.00 H new ATOM 1544 N PHE A 102 -6.576 -4.494 -4.298 1.00 0.00 N ATOM 1545 CA PHE A 102 -5.161 -4.787 -4.072 1.00 0.00 C ATOM 1546 C PHE A 102 -4.502 -5.306 -5.339 1.00 0.00 C ATOM 1547 O PHE A 102 -3.287 -5.199 -5.508 1.00 0.00 O ATOM 1548 CB PHE A 102 -4.992 -5.797 -2.942 1.00 0.00 C ATOM 1549 CG PHE A 102 -4.461 -5.189 -1.677 1.00 0.00 C ATOM 1550 CD1 PHE A 102 -3.098 -5.024 -1.494 1.00 0.00 C ATOM 1551 CD2 PHE A 102 -5.323 -4.779 -0.672 1.00 0.00 C ATOM 1552 CE1 PHE A 102 -2.603 -4.465 -0.332 1.00 0.00 C ATOM 1553 CE2 PHE A 102 -4.834 -4.218 0.492 1.00 0.00 C ATOM 1554 CZ PHE A 102 -3.472 -4.061 0.662 1.00 0.00 C ATOM 0 H PHE A 102 -7.211 -4.925 -3.626 1.00 0.00 H new ATOM 0 HA PHE A 102 -4.671 -3.856 -3.786 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -5.954 -6.265 -2.736 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -4.316 -6.587 -3.269 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -2.414 -5.336 -2.269 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -6.389 -4.899 -0.800 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -1.538 -4.344 -0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -5.516 -3.903 1.268 1.00 0.00 H new ATOM 0 HZ PHE A 102 -3.088 -3.623 1.571 1.00 0.00 H new ATOM 1564 N SER A 103 -5.300 -5.882 -6.221 1.00 0.00 N ATOM 1565 CA SER A 103 -4.782 -6.393 -7.478 1.00 0.00 C ATOM 1566 C SER A 103 -4.544 -5.236 -8.438 1.00 0.00 C ATOM 1567 O SER A 103 -3.520 -5.172 -9.120 1.00 0.00 O ATOM 1568 CB SER A 103 -5.760 -7.397 -8.092 1.00 0.00 C ATOM 1569 OG SER A 103 -7.013 -6.792 -8.362 1.00 0.00 O ATOM 0 H SER A 103 -6.304 -6.007 -6.091 1.00 0.00 H new ATOM 0 HA SER A 103 -3.838 -6.905 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.341 -7.799 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.898 -8.237 -7.411 1.00 0.00 H new ATOM 0 HG SER A 103 -7.604 -6.904 -7.588 1.00 0.00 H new ATOM 1575 N THR A 104 -5.491 -4.305 -8.459 1.00 0.00 N ATOM 1576 CA THR A 104 -5.404 -3.142 -9.328 1.00 0.00 C ATOM 1577 C THR A 104 -4.194 -2.278 -8.985 1.00 0.00 C ATOM 1578 O THR A 104 -3.490 -1.809 -9.880 1.00 0.00 O ATOM 1579 CB THR A 104 -6.679 -2.282 -9.247 1.00 0.00 C ATOM 1580 OG1 THR A 104 -7.838 -3.109 -9.415 1.00 0.00 O ATOM 1581 CG2 THR A 104 -6.665 -1.202 -10.318 1.00 0.00 C ATOM 0 H THR A 104 -6.331 -4.335 -7.881 1.00 0.00 H new ATOM 0 HA THR A 104 -5.294 -3.520 -10.345 1.00 0.00 H new ATOM 0 HB THR A 104 -6.711 -1.805 -8.267 1.00 0.00 H new ATOM 0 HG1 THR A 104 -8.645 -2.556 -9.361 1.00 0.00 H new ATOM 0 HG21 THR A 104 -7.574 -0.605 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.796 -0.559 -10.175 1.00 0.00 H new ATOM 0 HG23 THR A 104 -6.615 -1.667 -11.303 1.00 0.00 H new ATOM 1589 N LEU A 105 -3.948 -2.062 -7.691 1.00 0.00 N ATOM 1590 CA LEU A 105 -2.807 -1.241 -7.278 1.00 0.00 C ATOM 1591 C LEU A 105 -1.525 -1.740 -7.939 1.00 0.00 C ATOM 1592 O LEU A 105 -0.585 -0.970 -8.145 1.00 0.00 O ATOM 1593 CB LEU A 105 -2.607 -1.195 -5.752 1.00 0.00 C ATOM 1594 CG LEU A 105 -3.461 -2.119 -4.900 1.00 0.00 C ATOM 1595 CD1 LEU A 105 -2.753 -2.394 -3.582 1.00 0.00 C ATOM 1596 CD2 LEU A 105 -4.814 -1.479 -4.650 1.00 0.00 C ATOM 0 H LEU A 105 -4.510 -2.435 -6.925 1.00 0.00 H new ATOM 0 HA LEU A 105 -3.033 -0.226 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -1.561 -1.419 -5.544 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.786 -0.172 -5.421 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.612 -3.063 -5.423 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.366 -3.057 -2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -1.791 -2.867 -3.778 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -2.594 -1.455 -3.051 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -5.424 -2.144 -4.039 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -4.678 -0.531 -4.129 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -5.314 -1.301 -5.602 1.00 0.00 H new ATOM 1608 N VAL A 106 -1.488 -3.029 -8.268 1.00 0.00 N ATOM 1609 CA VAL A 106 -0.316 -3.608 -8.909 1.00 0.00 C ATOM 1610 C VAL A 106 -0.196 -3.100 -10.339 1.00 0.00 C ATOM 1611 O VAL A 106 0.906 -2.867 -10.839 1.00 0.00 O ATOM 1612 CB VAL A 106 -0.375 -5.148 -8.911 1.00 0.00 C ATOM 1613 CG1 VAL A 106 0.842 -5.732 -9.615 1.00 0.00 C ATOM 1614 CG2 VAL A 106 -0.476 -5.674 -7.488 1.00 0.00 C ATOM 0 H VAL A 106 -2.251 -3.686 -8.102 1.00 0.00 H new ATOM 0 HA VAL A 106 0.559 -3.301 -8.336 1.00 0.00 H new ATOM 0 HB VAL A 106 -1.265 -5.459 -9.459 1.00 0.00 H new ATOM 0 HG11 VAL A 106 0.781 -6.820 -9.605 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.870 -5.379 -10.646 1.00 0.00 H new ATOM 0 HG13 VAL A 106 1.748 -5.415 -9.098 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -0.517 -6.763 -7.505 1.00 0.00 H new ATOM 0 HG22 VAL A 106 0.396 -5.352 -6.918 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -1.380 -5.284 -7.019 1.00 0.00 H new ATOM 1624 N ALA A 107 -1.340 -2.925 -10.989 1.00 0.00 N ATOM 1625 CA ALA A 107 -1.376 -2.426 -12.355 1.00 0.00 C ATOM 1626 C ALA A 107 -1.221 -0.910 -12.372 1.00 0.00 C ATOM 1627 O ALA A 107 -0.752 -0.332 -13.353 1.00 0.00 O ATOM 1628 CB ALA A 107 -2.675 -2.837 -13.033 1.00 0.00 C ATOM 0 H ALA A 107 -2.257 -3.123 -10.589 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.544 -2.863 -12.907 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.688 -2.457 -14.054 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -2.749 -3.924 -13.049 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -3.520 -2.425 -12.481 1.00 0.00 H new ATOM 1634 N GLU A 108 -1.618 -0.272 -11.273 1.00 0.00 N ATOM 1635 CA GLU A 108 -1.521 1.177 -11.147 1.00 0.00 C ATOM 1636 C GLU A 108 -0.069 1.630 -11.198 1.00 0.00 C ATOM 1637 O GLU A 108 0.361 2.285 -12.148 1.00 0.00 O ATOM 1638 CB GLU A 108 -2.134 1.637 -9.832 1.00 0.00 C ATOM 1639 CG GLU A 108 -3.650 1.599 -9.833 1.00 0.00 C ATOM 1640 CD GLU A 108 -4.262 2.838 -10.457 1.00 0.00 C ATOM 1641 OE1 GLU A 108 -4.423 3.847 -9.740 1.00 0.00 O ATOM 1642 OE2 GLU A 108 -4.580 2.799 -11.663 1.00 0.00 O ATOM 0 H GLU A 108 -2.011 -0.739 -10.456 1.00 0.00 H new ATOM 0 HA GLU A 108 -2.065 1.619 -11.982 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -1.762 1.006 -9.025 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -1.803 2.654 -9.620 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -3.988 0.717 -10.378 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -4.008 1.497 -8.809 1.00 0.00 H new ATOM 1649 N SER A 109 0.678 1.271 -10.161 1.00 0.00 N ATOM 1650 CA SER A 109 2.066 1.625 -10.049 1.00 0.00 C ATOM 1651 C SER A 109 2.833 1.276 -11.321 1.00 0.00 C ATOM 1652 O SER A 109 3.351 0.143 -11.408 1.00 0.00 O ATOM 1653 CB SER A 109 2.647 0.888 -8.856 1.00 0.00 C ATOM 1654 OG SER A 109 2.469 -0.513 -8.978 1.00 0.00 O ATOM 1655 OXT SER A 109 2.913 2.142 -12.219 1.00 0.00 O ATOM 0 H SER A 109 0.325 0.723 -9.376 1.00 0.00 H new ATOM 0 HA SER A 109 2.156 2.702 -9.908 1.00 0.00 H new ATOM 0 HB2 SER A 109 3.709 1.115 -8.768 1.00 0.00 H new ATOM 0 HB3 SER A 109 2.169 1.239 -7.941 1.00 0.00 H new ATOM 0 HG SER A 109 2.575 -0.776 -9.916 1.00 0.00 H new