USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 622 hydrogens (4 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 NoAdj-H: A 65 SEP H2 : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD NoAdj-H: A 65 SEP H : A 65 SEP N : A 64 GLN C :(H bumps) USER MOD Set 1.1: A 9 SER OG : rot 141:sc= 0.0143 USER MOD Set 1.2: A 11 HIS : no HD1:sc= 0.00861 X(o=0.023,f=-0.0018) USER MOD Single : A 1 MET CE :methyl -143:sc= -0.127 (180deg=-1.03) USER MOD Single : A 1 MET N :NH3+ -166:sc= 2.37 (180deg=1.7) USER MOD Single : A 8 ASN : amide:sc= -0.0124 X(o=-0.012,f=0) USER MOD Single : A 10 SER OG : rot -29:sc= 0.0395 USER MOD Single : A 19 SER OG : rot 180:sc= 0.0426 USER MOD Single : A 21 THR OG1 : rot 90:sc= 0.621 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 GLN : amide:sc= 0.907 K(o=0.91,f=-5.5!) USER MOD Single : A 27 LYS NZ :NH3+ -165:sc= 1.21 (180deg=1.1) USER MOD Single : A 32 LYS NZ :NH3+ -171:sc= -0.003 (180deg=-0.0841) USER MOD Single : A 34 GLN :FLIP amide:sc= 0.711 F(o=0.017,f=0.71) USER MOD Single : A 40 GLN : amide:sc= -1.55! C(o=-1.6!,f=-4.2!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-0.76) USER MOD Single : A 55 THR OG1 : rot 168:sc= 0.574 USER MOD Single : A 57 GLN : amide:sc= -0.0561 K(o=-0.056,f=-0.59) USER MOD Single : A 58 ASN : amide:sc= 0.247 K(o=0.25,f=-3.3!) USER MOD Single : A 59 CYS SG : rot -30:sc= -0.847 USER MOD Single : A 63 GLN : amide:sc= -0.0169 X(o=-0.017,f=-0.0059) USER MOD Single : A 64 GLN : amide:sc= -0.0764 X(o=-0.076,f=-0.23) USER MOD Single : A 68 HIS :FLIP no HE2:sc= -0.247 F(o=-1.3,f=-0.25) USER MOD Single : A 71 GLN : amide:sc= -3.1! C(o=-3.1!,f=-8!) USER MOD Single : A 76 LYS NZ :NH3+ 174:sc=-0.00487 (180deg=-0.0803) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.924 -0.714 0.308 1.00 0.00 N ATOM 2 CA MET A 1 2.181 -1.173 -0.300 1.00 0.00 C ATOM 3 C MET A 1 1.899 -2.200 -1.384 1.00 0.00 C ATOM 4 O MET A 1 1.236 -3.202 -1.138 1.00 0.00 O ATOM 5 CB MET A 1 3.082 -1.791 0.771 1.00 0.00 C ATOM 6 CG MET A 1 4.401 -2.323 0.236 1.00 0.00 C ATOM 7 SD MET A 1 5.362 -3.178 1.496 1.00 0.00 S ATOM 8 CE MET A 1 6.833 -3.587 0.571 1.00 0.00 C ATOM 0 H1 MET A 1 1.102 0.144 0.869 1.00 0.00 H new ATOM 0 H2 MET A 1 0.234 -0.501 -0.440 1.00 0.00 H new ATOM 0 H3 MET A 1 0.545 -1.459 0.927 1.00 0.00 H new ATOM 0 HA MET A 1 2.685 -0.316 -0.747 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.287 -1.042 1.535 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.545 -2.604 1.258 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.205 -3.005 -0.592 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.987 -1.496 -0.164 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.195 -4.568 0.878 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.601 -3.603 -0.494 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.603 -2.840 0.763 1.00 0.00 H new ATOM 20 N ILE A 2 2.396 -1.951 -2.577 1.00 0.00 N ATOM 21 CA ILE A 2 2.200 -2.864 -3.689 1.00 0.00 C ATOM 22 C ILE A 2 3.446 -3.698 -3.916 1.00 0.00 C ATOM 23 O ILE A 2 4.525 -3.160 -4.138 1.00 0.00 O ATOM 24 CB ILE A 2 1.852 -2.113 -5.000 1.00 0.00 C ATOM 25 CG1 ILE A 2 0.503 -1.406 -4.867 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.838 -3.076 -6.189 1.00 0.00 C ATOM 27 CD1 ILE A 2 0.100 -0.615 -6.096 1.00 0.00 C ATOM 0 H ILE A 2 2.942 -1.120 -2.805 1.00 0.00 H new ATOM 0 HA ILE A 2 1.361 -3.509 -3.426 1.00 0.00 H new ATOM 0 HB ILE A 2 2.621 -1.362 -5.179 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.266 -2.149 -4.657 1.00 0.00 H new ATOM 0 HG13 ILE A 2 0.539 -0.734 -4.010 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.592 -2.528 -7.098 1.00 0.00 H new ATOM 0 HG22 ILE A 2 2.821 -3.535 -6.297 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.092 -3.852 -6.020 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.867 -0.143 -5.924 1.00 0.00 H new ATOM 0 HD12 ILE A 2 0.848 0.152 -6.296 1.00 0.00 H new ATOM 0 HD13 ILE A 2 0.030 -1.285 -6.953 1.00 0.00 H new ATOM 39 N VAL A 3 3.301 -5.000 -3.847 1.00 0.00 N ATOM 40 CA VAL A 3 4.417 -5.891 -4.090 1.00 0.00 C ATOM 41 C VAL A 3 4.155 -6.743 -5.322 1.00 0.00 C ATOM 42 O VAL A 3 3.008 -7.092 -5.615 1.00 0.00 O ATOM 43 CB VAL A 3 4.726 -6.795 -2.868 1.00 0.00 C ATOM 44 CG1 VAL A 3 5.109 -5.951 -1.667 1.00 0.00 C ATOM 45 CG2 VAL A 3 3.546 -7.691 -2.528 1.00 0.00 C ATOM 0 H VAL A 3 2.423 -5.469 -3.625 1.00 0.00 H new ATOM 0 HA VAL A 3 5.295 -5.268 -4.262 1.00 0.00 H new ATOM 0 HB VAL A 3 5.568 -7.435 -3.133 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.322 -6.601 -0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.995 -5.361 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.286 -5.283 -1.414 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.796 -8.311 -1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.678 -7.075 -2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.316 -8.330 -3.381 1.00 0.00 H new ATOM 55 N PHE A 4 5.202 -7.051 -6.051 1.00 0.00 N ATOM 56 CA PHE A 4 5.080 -7.857 -7.251 1.00 0.00 C ATOM 57 C PHE A 4 5.099 -9.335 -6.886 1.00 0.00 C ATOM 58 O PHE A 4 5.993 -9.793 -6.167 1.00 0.00 O ATOM 59 CB PHE A 4 6.211 -7.531 -8.228 1.00 0.00 C ATOM 60 CG PHE A 4 6.291 -6.080 -8.609 1.00 0.00 C ATOM 61 CD1 PHE A 4 7.296 -5.274 -8.100 1.00 0.00 C ATOM 62 CD2 PHE A 4 5.367 -5.524 -9.477 1.00 0.00 C ATOM 63 CE1 PHE A 4 7.380 -3.943 -8.452 1.00 0.00 C ATOM 64 CE2 PHE A 4 5.445 -4.193 -9.831 1.00 0.00 C ATOM 65 CZ PHE A 4 6.453 -3.400 -9.319 1.00 0.00 C ATOM 0 H PHE A 4 6.154 -6.756 -5.836 1.00 0.00 H new ATOM 0 HA PHE A 4 4.132 -7.628 -7.737 1.00 0.00 H new ATOM 0 HB2 PHE A 4 7.159 -7.832 -7.783 1.00 0.00 H new ATOM 0 HB3 PHE A 4 6.080 -8.126 -9.131 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.023 -5.693 -7.419 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.577 -6.139 -9.881 1.00 0.00 H new ATOM 0 HE1 PHE A 4 8.170 -3.326 -8.050 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.718 -3.771 -10.509 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.516 -2.358 -9.596 1.00 0.00 H new ATOM 75 N VAL A 5 4.119 -10.082 -7.375 1.00 0.00 N ATOM 76 CA VAL A 5 3.996 -11.493 -7.028 1.00 0.00 C ATOM 77 C VAL A 5 3.722 -12.366 -8.254 1.00 0.00 C ATOM 78 O VAL A 5 2.961 -11.994 -9.138 1.00 0.00 O ATOM 79 CB VAL A 5 2.865 -11.692 -5.982 1.00 0.00 C ATOM 80 CG1 VAL A 5 2.588 -13.160 -5.726 1.00 0.00 C ATOM 81 CG2 VAL A 5 3.217 -10.992 -4.689 1.00 0.00 C ATOM 0 H VAL A 5 3.400 -9.737 -8.011 1.00 0.00 H new ATOM 0 HA VAL A 5 4.950 -11.805 -6.604 1.00 0.00 H new ATOM 0 HB VAL A 5 1.956 -11.251 -6.392 1.00 0.00 H new ATOM 0 HG11 VAL A 5 1.791 -13.257 -4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 5 2.283 -13.640 -6.656 1.00 0.00 H new ATOM 0 HG13 VAL A 5 3.491 -13.640 -5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 5 2.415 -11.140 -3.965 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.145 -11.405 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 5 3.345 -9.926 -4.876 1.00 0.00 H new ATOM 91 N ARG A 6 4.367 -13.519 -8.289 1.00 0.00 N ATOM 92 CA ARG A 6 4.185 -14.500 -9.346 1.00 0.00 C ATOM 93 C ARG A 6 3.582 -15.760 -8.762 1.00 0.00 C ATOM 94 O ARG A 6 4.039 -16.239 -7.727 1.00 0.00 O ATOM 95 CB ARG A 6 5.527 -14.851 -9.976 1.00 0.00 C ATOM 96 CG ARG A 6 6.173 -13.722 -10.730 1.00 0.00 C ATOM 97 CD ARG A 6 7.498 -14.163 -11.334 1.00 0.00 C ATOM 98 NE ARG A 6 7.377 -15.437 -12.059 1.00 0.00 N ATOM 99 CZ ARG A 6 8.363 -16.006 -12.761 1.00 0.00 C ATOM 100 NH1 ARG A 6 9.528 -15.380 -12.915 1.00 0.00 N1+ ATOM 101 NH2 ARG A 6 8.174 -17.193 -13.324 1.00 0.00 N ATOM 0 H ARG A 6 5.039 -13.804 -7.577 1.00 0.00 H new ATOM 0 HA ARG A 6 3.525 -14.079 -10.105 1.00 0.00 H new ATOM 0 HB2 ARG A 6 6.207 -15.184 -9.192 1.00 0.00 H new ATOM 0 HB3 ARG A 6 5.387 -15.692 -10.655 1.00 0.00 H new ATOM 0 HG2 ARG A 6 5.505 -13.377 -11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.337 -12.878 -10.060 1.00 0.00 H new ATOM 0 HD2 ARG A 6 7.861 -13.392 -12.014 1.00 0.00 H new ATOM 0 HD3 ARG A 6 8.241 -14.265 -10.543 1.00 0.00 H new ATOM 0 HE ARG A 6 6.479 -15.920 -12.024 1.00 0.00 H new ATOM 0 HH11 ARG A 6 9.672 -14.461 -12.496 1.00 0.00 H new ATOM 0 HH12 ARG A 6 10.276 -15.819 -13.452 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.278 -17.670 -13.221 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.925 -17.629 -13.860 1.00 0.00 H new ATOM 115 N PHE A 7 2.572 -16.305 -9.409 1.00 0.00 N ATOM 116 CA PHE A 7 1.953 -17.517 -8.908 1.00 0.00 C ATOM 117 C PHE A 7 2.050 -18.660 -9.907 1.00 0.00 C ATOM 118 O PHE A 7 1.403 -18.637 -10.962 1.00 0.00 O ATOM 119 CB PHE A 7 0.490 -17.286 -8.515 1.00 0.00 C ATOM 120 CG PHE A 7 -0.166 -18.521 -7.953 1.00 0.00 C ATOM 121 CD1 PHE A 7 0.056 -18.900 -6.639 1.00 0.00 C ATOM 122 CD2 PHE A 7 -0.992 -19.310 -8.742 1.00 0.00 C ATOM 123 CE1 PHE A 7 -0.527 -20.040 -6.123 1.00 0.00 C ATOM 124 CE2 PHE A 7 -1.580 -20.451 -8.229 1.00 0.00 C ATOM 125 CZ PHE A 7 -1.345 -20.816 -6.918 1.00 0.00 C ATOM 0 H PHE A 7 2.167 -15.936 -10.269 1.00 0.00 H new ATOM 0 HA PHE A 7 2.509 -17.799 -8.014 1.00 0.00 H new ATOM 0 HB2 PHE A 7 0.439 -16.485 -7.777 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -0.068 -16.950 -9.389 1.00 0.00 H new ATOM 0 HD1 PHE A 7 0.693 -18.296 -6.010 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -1.177 -19.029 -9.768 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -0.343 -20.324 -5.097 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -2.222 -21.056 -8.852 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.801 -21.708 -6.515 1.00 0.00 H new ATOM 135 N ASN A 8 2.881 -19.649 -9.558 1.00 0.00 N ATOM 136 CA ASN A 8 3.062 -20.903 -10.317 1.00 0.00 C ATOM 137 C ASN A 8 3.710 -20.702 -11.696 1.00 0.00 C ATOM 138 O ASN A 8 4.613 -21.443 -12.076 1.00 0.00 O ATOM 139 CB ASN A 8 1.726 -21.651 -10.457 1.00 0.00 C ATOM 140 CG ASN A 8 1.892 -23.052 -11.018 1.00 0.00 C ATOM 141 OD1 ASN A 8 2.103 -24.008 -10.273 1.00 0.00 O ATOM 142 ND2 ASN A 8 1.779 -23.187 -12.326 1.00 0.00 N ATOM 0 H ASN A 8 3.462 -19.604 -8.721 1.00 0.00 H new ATOM 0 HA ASN A 8 3.759 -21.507 -9.736 1.00 0.00 H new ATOM 0 HB2 ASN A 8 1.244 -21.710 -9.481 1.00 0.00 H new ATOM 0 HB3 ASN A 8 1.062 -21.081 -11.107 1.00 0.00 H new ATOM 0 HD21 ASN A 8 1.867 -24.109 -12.753 1.00 0.00 H new ATOM 0 HD22 ASN A 8 1.604 -22.369 -12.910 1.00 0.00 H new ATOM 149 N SER A 9 3.252 -19.710 -12.422 1.00 0.00 N ATOM 150 CA SER A 9 3.721 -19.455 -13.765 1.00 0.00 C ATOM 151 C SER A 9 4.570 -18.181 -13.834 1.00 0.00 C ATOM 152 O SER A 9 4.941 -17.603 -12.802 1.00 0.00 O ATOM 153 CB SER A 9 2.516 -19.354 -14.703 1.00 0.00 C ATOM 154 OG SER A 9 1.539 -18.456 -14.185 1.00 0.00 O ATOM 0 H SER A 9 2.541 -19.054 -12.098 1.00 0.00 H new ATOM 0 HA SER A 9 4.360 -20.281 -14.076 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.843 -19.014 -15.685 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.073 -20.340 -14.839 1.00 0.00 H new ATOM 0 HG SER A 9 1.158 -17.929 -14.918 1.00 0.00 H new ATOM 160 N SER A 10 4.881 -17.758 -15.052 1.00 0.00 N ATOM 161 CA SER A 10 5.675 -16.565 -15.275 1.00 0.00 C ATOM 162 C SER A 10 4.825 -15.308 -15.073 1.00 0.00 C ATOM 163 O SER A 10 5.352 -14.199 -14.990 1.00 0.00 O ATOM 164 CB SER A 10 6.278 -16.594 -16.690 1.00 0.00 C ATOM 165 OG SER A 10 7.154 -15.499 -16.909 1.00 0.00 O ATOM 0 H SER A 10 4.590 -18.232 -15.907 1.00 0.00 H new ATOM 0 HA SER A 10 6.488 -16.542 -14.550 1.00 0.00 H new ATOM 0 HB2 SER A 10 6.820 -17.528 -16.836 1.00 0.00 H new ATOM 0 HB3 SER A 10 5.476 -16.572 -17.428 1.00 0.00 H new ATOM 0 HG SER A 10 6.871 -14.739 -16.359 1.00 0.00 H new ATOM 171 N HIS A 11 3.513 -15.494 -14.977 1.00 0.00 N ATOM 172 CA HIS A 11 2.592 -14.383 -14.790 1.00 0.00 C ATOM 173 C HIS A 11 2.804 -13.712 -13.440 1.00 0.00 C ATOM 174 O HIS A 11 2.793 -14.371 -12.391 1.00 0.00 O ATOM 175 CB HIS A 11 1.136 -14.846 -14.922 1.00 0.00 C ATOM 176 CG HIS A 11 0.765 -15.319 -16.296 1.00 0.00 C ATOM 177 ND1 HIS A 11 -0.043 -16.417 -16.485 1.00 0.00 N ATOM 178 CD2 HIS A 11 1.100 -14.802 -17.502 1.00 0.00 C ATOM 179 CE1 HIS A 11 -0.179 -16.540 -17.796 1.00 0.00 C ATOM 180 NE2 HIS A 11 0.494 -15.587 -18.449 1.00 0.00 N ATOM 0 H HIS A 11 3.064 -16.408 -15.026 1.00 0.00 H new ATOM 0 HA HIS A 11 2.799 -13.654 -15.574 1.00 0.00 H new ATOM 0 HB2 HIS A 11 0.957 -15.653 -14.211 1.00 0.00 H new ATOM 0 HB3 HIS A 11 0.478 -14.023 -14.643 1.00 0.00 H new ATOM 0 HD2 HIS A 11 1.723 -13.939 -17.683 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -0.760 -17.313 -18.277 1.00 0.00 H new ATOM 0 HE2 HIS A 11 0.547 -15.467 -19.460 1.00 0.00 H new ATOM 188 N GLY A 12 3.004 -12.411 -13.476 1.00 0.00 N ATOM 189 CA GLY A 12 3.195 -11.651 -12.271 1.00 0.00 C ATOM 190 C GLY A 12 2.133 -10.594 -12.111 1.00 0.00 C ATOM 191 O GLY A 12 1.771 -9.917 -13.078 1.00 0.00 O ATOM 0 H GLY A 12 3.038 -11.861 -14.334 1.00 0.00 H new ATOM 0 HA2 GLY A 12 3.176 -12.320 -11.411 1.00 0.00 H new ATOM 0 HA3 GLY A 12 4.178 -11.181 -12.288 1.00 0.00 H new ATOM 195 N PHE A 13 1.623 -10.456 -10.910 1.00 0.00 N ATOM 196 CA PHE A 13 0.586 -9.489 -10.622 1.00 0.00 C ATOM 197 C PHE A 13 0.928 -8.692 -9.363 1.00 0.00 C ATOM 198 O PHE A 13 1.540 -9.219 -8.430 1.00 0.00 O ATOM 199 CB PHE A 13 -0.786 -10.185 -10.484 1.00 0.00 C ATOM 200 CG PHE A 13 -0.837 -11.294 -9.460 1.00 0.00 C ATOM 201 CD1 PHE A 13 -1.401 -11.079 -8.214 1.00 0.00 C ATOM 202 CD2 PHE A 13 -0.328 -12.552 -9.750 1.00 0.00 C ATOM 203 CE1 PHE A 13 -1.457 -12.095 -7.278 1.00 0.00 C ATOM 204 CE2 PHE A 13 -0.378 -13.568 -8.818 1.00 0.00 C ATOM 205 CZ PHE A 13 -0.943 -13.341 -7.581 1.00 0.00 C ATOM 0 H PHE A 13 1.914 -11.010 -10.104 1.00 0.00 H new ATOM 0 HA PHE A 13 0.525 -8.790 -11.456 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -1.533 -9.435 -10.223 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -1.069 -10.593 -11.454 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.802 -10.106 -7.970 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.113 -12.738 -10.718 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.902 -11.915 -6.311 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.025 -14.541 -9.057 1.00 0.00 H new ATOM 0 HZ PHE A 13 -0.984 -14.135 -6.851 1.00 0.00 H new ATOM 215 N PRO A 14 0.566 -7.403 -9.338 1.00 0.00 N ATOM 216 CA PRO A 14 0.832 -6.534 -8.201 1.00 0.00 C ATOM 217 C PRO A 14 -0.202 -6.704 -7.083 1.00 0.00 C ATOM 218 O PRO A 14 -1.404 -6.517 -7.293 1.00 0.00 O ATOM 219 CB PRO A 14 0.747 -5.135 -8.810 1.00 0.00 C ATOM 220 CG PRO A 14 -0.224 -5.267 -9.937 1.00 0.00 C ATOM 221 CD PRO A 14 -0.127 -6.689 -10.430 1.00 0.00 C ATOM 0 HA PRO A 14 1.790 -6.752 -7.729 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.405 -4.405 -8.077 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.721 -4.798 -9.165 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -1.237 -5.042 -9.603 1.00 0.00 H new ATOM 0 HG3 PRO A 14 0.012 -4.564 -10.736 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -1.113 -7.113 -10.621 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.432 -6.750 -11.364 1.00 0.00 H new ATOM 229 N VAL A 15 0.266 -7.065 -5.906 1.00 0.00 N ATOM 230 CA VAL A 15 -0.606 -7.256 -4.767 1.00 0.00 C ATOM 231 C VAL A 15 -0.510 -6.067 -3.818 1.00 0.00 C ATOM 232 O VAL A 15 0.570 -5.749 -3.309 1.00 0.00 O ATOM 233 CB VAL A 15 -0.273 -8.564 -4.005 1.00 0.00 C ATOM 234 CG1 VAL A 15 -1.230 -8.772 -2.841 1.00 0.00 C ATOM 235 CG2 VAL A 15 -0.322 -9.753 -4.947 1.00 0.00 C ATOM 0 H VAL A 15 1.253 -7.233 -5.713 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.625 -7.335 -5.146 1.00 0.00 H new ATOM 0 HB VAL A 15 0.737 -8.476 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.976 -9.696 -2.322 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -1.149 -7.933 -2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.251 -8.836 -3.217 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.086 -10.663 -4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.321 -9.837 -5.375 1.00 0.00 H new ATOM 0 HG23 VAL A 15 0.405 -9.614 -5.747 1.00 0.00 H new ATOM 245 N GLU A 16 -1.633 -5.401 -3.608 1.00 0.00 N ATOM 246 CA GLU A 16 -1.698 -4.257 -2.718 1.00 0.00 C ATOM 247 C GLU A 16 -1.981 -4.737 -1.296 1.00 0.00 C ATOM 248 O GLU A 16 -3.039 -5.317 -1.023 1.00 0.00 O ATOM 249 CB GLU A 16 -2.805 -3.298 -3.181 1.00 0.00 C ATOM 250 CG GLU A 16 -2.529 -1.818 -2.912 1.00 0.00 C ATOM 251 CD GLU A 16 -2.309 -1.488 -1.454 1.00 0.00 C ATOM 252 OE1 GLU A 16 -3.213 -1.742 -0.636 1.00 0.00 O ATOM 253 OE2 GLU A 16 -1.237 -0.946 -1.125 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.522 -5.638 -4.049 1.00 0.00 H new ATOM 0 HA GLU A 16 -0.745 -3.728 -2.736 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.960 -3.435 -4.251 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.736 -3.575 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.649 -1.514 -3.479 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -3.367 -1.229 -3.285 1.00 0.00 H new ATOM 260 N VAL A 17 -1.037 -4.513 -0.410 1.00 0.00 N ATOM 261 CA VAL A 17 -1.168 -4.921 0.979 1.00 0.00 C ATOM 262 C VAL A 17 -0.914 -3.752 1.910 1.00 0.00 C ATOM 263 O VAL A 17 -0.439 -2.699 1.482 1.00 0.00 O ATOM 264 CB VAL A 17 -0.204 -6.078 1.338 1.00 0.00 C ATOM 265 CG1 VAL A 17 -0.618 -7.352 0.623 1.00 0.00 C ATOM 266 CG2 VAL A 17 1.237 -5.713 0.993 1.00 0.00 C ATOM 0 H VAL A 17 -0.157 -4.044 -0.627 1.00 0.00 H new ATOM 0 HA VAL A 17 -2.191 -5.275 1.106 1.00 0.00 H new ATOM 0 HB VAL A 17 -0.261 -6.249 2.413 1.00 0.00 H new ATOM 0 HG11 VAL A 17 0.069 -8.156 0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.629 -7.626 0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.592 -7.189 -0.454 1.00 0.00 H new ATOM 0 HG21 VAL A 17 1.895 -6.542 1.255 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.315 -5.511 -0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.532 -4.825 1.553 1.00 0.00 H new ATOM 276 N ASP A 18 -1.222 -3.940 3.177 1.00 0.00 N ATOM 277 CA ASP A 18 -1.042 -2.894 4.176 1.00 0.00 C ATOM 278 C ASP A 18 0.425 -2.708 4.502 1.00 0.00 C ATOM 279 O ASP A 18 1.257 -3.572 4.198 1.00 0.00 O ATOM 280 CB ASP A 18 -1.796 -3.235 5.467 1.00 0.00 C ATOM 281 CG ASP A 18 -3.296 -3.198 5.312 1.00 0.00 C ATOM 282 OD1 ASP A 18 -3.887 -2.123 5.508 1.00 0.00 O ATOM 283 OD2 ASP A 18 -3.897 -4.254 5.020 1.00 0.00 O1- ATOM 0 H ASP A 18 -1.601 -4.812 3.546 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.441 -1.971 3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.497 -4.228 5.802 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.501 -2.533 6.247 1.00 0.00 H new ATOM 288 N SER A 19 0.737 -1.590 5.139 1.00 0.00 N ATOM 289 CA SER A 19 2.091 -1.290 5.562 1.00 0.00 C ATOM 290 C SER A 19 2.549 -2.276 6.634 1.00 0.00 C ATOM 291 O SER A 19 3.740 -2.454 6.865 1.00 0.00 O ATOM 292 CB SER A 19 2.153 0.141 6.084 1.00 0.00 C ATOM 293 OG SER A 19 1.025 0.425 6.899 1.00 0.00 O ATOM 0 H SER A 19 0.057 -0.867 5.376 1.00 0.00 H new ATOM 0 HA SER A 19 2.763 -1.387 4.709 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.069 0.285 6.658 1.00 0.00 H new ATOM 0 HB3 SER A 19 2.188 0.838 5.247 1.00 0.00 H new ATOM 0 HG SER A 19 1.082 1.347 7.227 1.00 0.00 H new ATOM 299 N ASP A 20 1.590 -2.916 7.279 1.00 0.00 N ATOM 300 CA ASP A 20 1.885 -3.917 8.277 1.00 0.00 C ATOM 301 C ASP A 20 1.233 -5.231 7.899 1.00 0.00 C ATOM 302 O ASP A 20 0.179 -5.605 8.418 1.00 0.00 O ATOM 303 CB ASP A 20 1.448 -3.470 9.675 1.00 0.00 C ATOM 304 CG ASP A 20 1.727 -4.525 10.731 1.00 0.00 C ATOM 305 OD1 ASP A 20 2.904 -4.875 10.938 1.00 0.00 O ATOM 306 OD2 ASP A 20 0.762 -5.005 11.365 1.00 0.00 O1- ATOM 0 H ASP A 20 0.595 -2.755 7.125 1.00 0.00 H new ATOM 0 HA ASP A 20 2.966 -4.055 8.310 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.968 -2.549 9.939 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.382 -3.243 9.665 1.00 0.00 H new ATOM 311 N THR A 21 1.826 -5.883 6.941 1.00 0.00 N ATOM 312 CA THR A 21 1.361 -7.167 6.476 1.00 0.00 C ATOM 313 C THR A 21 2.472 -8.188 6.638 1.00 0.00 C ATOM 314 O THR A 21 3.472 -8.130 5.934 1.00 0.00 O ATOM 315 CB THR A 21 0.938 -7.095 4.991 1.00 0.00 C ATOM 316 OG1 THR A 21 -0.013 -6.038 4.813 1.00 0.00 O ATOM 317 CG2 THR A 21 0.327 -8.410 4.522 1.00 0.00 C ATOM 0 H THR A 21 2.653 -5.539 6.453 1.00 0.00 H new ATOM 0 HA THR A 21 0.493 -7.460 7.067 1.00 0.00 H new ATOM 0 HB THR A 21 1.830 -6.901 4.395 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.459 -5.205 4.605 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.041 -8.325 3.474 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.057 -9.211 4.635 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.555 -8.636 5.122 1.00 0.00 H new ATOM 325 N SER A 22 2.312 -9.095 7.584 1.00 0.00 N ATOM 326 CA SER A 22 3.313 -10.111 7.836 1.00 0.00 C ATOM 327 C SER A 22 3.437 -11.045 6.640 1.00 0.00 C ATOM 328 O SER A 22 2.476 -11.233 5.904 1.00 0.00 O ATOM 329 CB SER A 22 2.947 -10.901 9.087 1.00 0.00 C ATOM 330 OG SER A 22 2.705 -10.027 10.172 1.00 0.00 O ATOM 0 H SER A 22 1.495 -9.147 8.192 1.00 0.00 H new ATOM 0 HA SER A 22 4.275 -9.624 7.993 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.061 -11.506 8.896 1.00 0.00 H new ATOM 0 HB3 SER A 22 3.754 -11.588 9.339 1.00 0.00 H new ATOM 0 HG SER A 22 2.470 -10.550 10.967 1.00 0.00 H new ATOM 336 N ILE A 23 4.618 -11.614 6.445 1.00 0.00 N ATOM 337 CA ILE A 23 4.855 -12.532 5.335 1.00 0.00 C ATOM 338 C ILE A 23 3.888 -13.723 5.391 1.00 0.00 C ATOM 339 O ILE A 23 3.393 -14.182 4.358 1.00 0.00 O ATOM 340 CB ILE A 23 6.326 -13.030 5.316 1.00 0.00 C ATOM 341 CG1 ILE A 23 7.291 -11.841 5.122 1.00 0.00 C ATOM 342 CG2 ILE A 23 6.542 -14.086 4.232 1.00 0.00 C ATOM 343 CD1 ILE A 23 7.060 -11.055 3.846 1.00 0.00 C ATOM 0 H ILE A 23 5.430 -11.457 7.042 1.00 0.00 H new ATOM 0 HA ILE A 23 4.673 -11.982 4.412 1.00 0.00 H new ATOM 0 HB ILE A 23 6.537 -13.498 6.278 1.00 0.00 H new ATOM 0 HG12 ILE A 23 7.195 -11.167 5.973 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.315 -12.214 5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 23 7.582 -14.414 4.245 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.890 -14.939 4.420 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.309 -13.659 3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 23 7.779 -10.238 3.787 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.186 -11.712 2.986 1.00 0.00 H new ATOM 0 HD13 ILE A 23 6.049 -10.649 3.847 1.00 0.00 H new ATOM 355 N PHE A 24 3.602 -14.199 6.602 1.00 0.00 N ATOM 356 CA PHE A 24 2.650 -15.290 6.783 1.00 0.00 C ATOM 357 C PHE A 24 1.258 -14.845 6.340 1.00 0.00 C ATOM 358 O PHE A 24 0.543 -15.583 5.659 1.00 0.00 O ATOM 359 CB PHE A 24 2.629 -15.752 8.247 1.00 0.00 C ATOM 360 CG PHE A 24 1.715 -16.920 8.507 1.00 0.00 C ATOM 361 CD1 PHE A 24 1.903 -18.125 7.849 1.00 0.00 C ATOM 362 CD2 PHE A 24 0.675 -16.816 9.416 1.00 0.00 C ATOM 363 CE1 PHE A 24 1.071 -19.201 8.088 1.00 0.00 C ATOM 364 CE2 PHE A 24 -0.162 -17.889 9.661 1.00 0.00 C ATOM 365 CZ PHE A 24 0.037 -19.084 8.996 1.00 0.00 C ATOM 0 H PHE A 24 4.014 -13.848 7.467 1.00 0.00 H new ATOM 0 HA PHE A 24 2.962 -16.133 6.167 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.642 -16.022 8.547 1.00 0.00 H new ATOM 0 HB3 PHE A 24 2.323 -14.917 8.877 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.711 -18.224 7.140 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.516 -15.885 9.940 1.00 0.00 H new ATOM 0 HE1 PHE A 24 1.229 -20.133 7.565 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -0.970 -17.793 10.371 1.00 0.00 H new ATOM 0 HZ PHE A 24 -0.614 -19.924 9.186 1.00 0.00 H new ATOM 375 N GLN A 25 0.892 -13.621 6.713 1.00 0.00 N ATOM 376 CA GLN A 25 -0.389 -13.045 6.322 1.00 0.00 C ATOM 377 C GLN A 25 -0.422 -12.841 4.820 1.00 0.00 C ATOM 378 O GLN A 25 -1.387 -13.183 4.170 1.00 0.00 O ATOM 379 CB GLN A 25 -0.617 -11.702 7.022 1.00 0.00 C ATOM 380 CG GLN A 25 -0.785 -11.793 8.527 1.00 0.00 C ATOM 381 CD GLN A 25 -0.844 -10.424 9.181 1.00 0.00 C ATOM 382 OE1 GLN A 25 -0.228 -9.467 8.704 1.00 0.00 O ATOM 383 NE2 GLN A 25 -1.585 -10.316 10.262 1.00 0.00 N ATOM 0 H GLN A 25 1.469 -13.007 7.288 1.00 0.00 H new ATOM 0 HA GLN A 25 -1.180 -13.734 6.619 1.00 0.00 H new ATOM 0 HB2 GLN A 25 0.225 -11.046 6.803 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.505 -11.233 6.598 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -1.698 -12.343 8.756 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.044 -12.360 8.950 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -2.079 -11.131 10.625 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.666 -9.417 10.737 1.00 0.00 H new ATOM 392 N LEU A 26 0.663 -12.288 4.284 1.00 0.00 N ATOM 393 CA LEU A 26 0.799 -12.035 2.852 1.00 0.00 C ATOM 394 C LEU A 26 0.565 -13.311 2.055 1.00 0.00 C ATOM 395 O LEU A 26 -0.139 -13.301 1.041 1.00 0.00 O ATOM 396 CB LEU A 26 2.192 -11.470 2.555 1.00 0.00 C ATOM 397 CG LEU A 26 2.523 -11.218 1.081 1.00 0.00 C ATOM 398 CD1 LEU A 26 1.563 -10.210 0.476 1.00 0.00 C ATOM 399 CD2 LEU A 26 3.953 -10.733 0.945 1.00 0.00 C ATOM 0 H LEU A 26 1.475 -12.002 4.832 1.00 0.00 H new ATOM 0 HA LEU A 26 0.047 -11.305 2.553 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.302 -10.530 3.096 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.934 -12.159 2.959 1.00 0.00 H new ATOM 0 HG LEU A 26 2.415 -12.157 0.538 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.818 -10.048 -0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.544 -10.590 0.546 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.636 -9.267 1.018 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.179 -10.557 -0.107 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.077 -9.805 1.503 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.632 -11.488 1.340 1.00 0.00 H new ATOM 411 N LYS A 27 1.150 -14.407 2.527 1.00 0.00 N ATOM 412 CA LYS A 27 0.971 -15.703 1.895 1.00 0.00 C ATOM 413 C LYS A 27 -0.509 -16.060 1.856 1.00 0.00 C ATOM 414 O LYS A 27 -1.036 -16.468 0.823 1.00 0.00 O ATOM 415 CB LYS A 27 1.741 -16.780 2.664 1.00 0.00 C ATOM 416 CG LYS A 27 1.629 -18.170 2.050 1.00 0.00 C ATOM 417 CD LYS A 27 2.333 -19.229 2.888 1.00 0.00 C ATOM 418 CE LYS A 27 3.846 -19.043 2.894 1.00 0.00 C ATOM 419 NZ LYS A 27 4.530 -20.138 3.621 1.00 0.00 N1+ ATOM 0 H LYS A 27 1.754 -14.420 3.349 1.00 0.00 H new ATOM 0 HA LYS A 27 1.357 -15.652 0.877 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.793 -16.498 2.712 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.373 -16.815 3.689 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.577 -18.434 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.058 -18.158 1.048 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.959 -19.189 3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.091 -20.218 2.499 1.00 0.00 H new ATOM 0 HE2 LYS A 27 4.212 -19.003 1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.093 -18.088 3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.511 -19.859 3.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.030 -20.328 4.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.530 -20.997 3.035 1.00 0.00 H new ATOM 433 N GLU A 28 -1.169 -15.879 2.989 1.00 0.00 N ATOM 434 CA GLU A 28 -2.577 -16.183 3.114 1.00 0.00 C ATOM 435 C GLU A 28 -3.442 -15.213 2.303 1.00 0.00 C ATOM 436 O GLU A 28 -4.453 -15.611 1.739 1.00 0.00 O ATOM 437 CB GLU A 28 -2.992 -16.180 4.582 1.00 0.00 C ATOM 438 CG GLU A 28 -2.409 -17.333 5.385 1.00 0.00 C ATOM 439 CD GLU A 28 -3.136 -17.559 6.690 1.00 0.00 C ATOM 440 OE1 GLU A 28 -3.018 -16.714 7.601 1.00 0.00 O ATOM 441 OE2 GLU A 28 -3.835 -18.589 6.811 1.00 0.00 O1- ATOM 0 H GLU A 28 -0.742 -15.518 3.842 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.739 -17.180 2.705 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.681 -15.239 5.036 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.080 -16.220 4.643 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.450 -18.244 4.788 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.357 -17.133 5.589 1.00 0.00 H new ATOM 448 N VAL A 29 -3.034 -13.946 2.246 1.00 0.00 N ATOM 449 CA VAL A 29 -3.756 -12.934 1.475 1.00 0.00 C ATOM 450 C VAL A 29 -3.780 -13.305 -0.003 1.00 0.00 C ATOM 451 O VAL A 29 -4.827 -13.264 -0.644 1.00 0.00 O ATOM 452 CB VAL A 29 -3.140 -11.517 1.648 1.00 0.00 C ATOM 453 CG1 VAL A 29 -3.797 -10.516 0.702 1.00 0.00 C ATOM 454 CG2 VAL A 29 -3.287 -11.045 3.088 1.00 0.00 C ATOM 0 H VAL A 29 -2.205 -13.595 2.726 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.775 -12.906 1.861 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.080 -11.580 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.348 -9.533 0.843 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.649 -10.838 -0.329 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -4.865 -10.461 0.915 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.851 -10.052 3.192 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.344 -11.006 3.352 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.772 -11.739 3.753 1.00 0.00 H new ATOM 464 N VAL A 30 -2.626 -13.678 -0.535 1.00 0.00 N ATOM 465 CA VAL A 30 -2.537 -14.091 -1.925 1.00 0.00 C ATOM 466 C VAL A 30 -3.298 -15.400 -2.129 1.00 0.00 C ATOM 467 O VAL A 30 -4.032 -15.562 -3.109 1.00 0.00 O ATOM 468 CB VAL A 30 -1.067 -14.265 -2.381 1.00 0.00 C ATOM 469 CG1 VAL A 30 -0.998 -14.720 -3.834 1.00 0.00 C ATOM 470 CG2 VAL A 30 -0.293 -12.967 -2.194 1.00 0.00 C ATOM 0 H VAL A 30 -1.742 -13.703 -0.027 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.985 -13.304 -2.532 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.609 -15.036 -1.761 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.045 -14.835 -4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.513 -15.675 -3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.476 -13.976 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.738 -13.108 -2.519 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.756 -12.178 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.306 -12.684 -1.141 1.00 0.00 H new ATOM 480 N ALA A 31 -3.139 -16.315 -1.179 1.00 0.00 N ATOM 481 CA ALA A 31 -3.807 -17.598 -1.231 1.00 0.00 C ATOM 482 C ALA A 31 -5.327 -17.440 -1.253 1.00 0.00 C ATOM 483 O ALA A 31 -5.997 -17.970 -2.132 1.00 0.00 O ATOM 484 CB ALA A 31 -3.378 -18.462 -0.059 1.00 0.00 C ATOM 0 H ALA A 31 -2.546 -16.184 -0.359 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.514 -18.090 -2.159 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.888 -19.424 -0.110 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.300 -18.620 -0.099 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -3.637 -17.963 0.875 1.00 0.00 H new ATOM 490 N LYS A 32 -5.865 -16.693 -0.292 1.00 0.00 N ATOM 491 CA LYS A 32 -7.311 -16.474 -0.202 1.00 0.00 C ATOM 492 C LYS A 32 -7.811 -15.697 -1.418 1.00 0.00 C ATOM 493 O LYS A 32 -8.935 -15.897 -1.872 1.00 0.00 O ATOM 494 CB LYS A 32 -7.668 -15.712 1.086 1.00 0.00 C ATOM 495 CG LYS A 32 -7.275 -14.240 1.054 1.00 0.00 C ATOM 496 CD LYS A 32 -7.456 -13.557 2.396 1.00 0.00 C ATOM 497 CE LYS A 32 -8.905 -13.571 2.861 1.00 0.00 C ATOM 498 NZ LYS A 32 -9.788 -12.798 1.954 1.00 0.00 N1+ ATOM 0 H LYS A 32 -5.323 -16.228 0.437 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.798 -17.449 -0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.742 -15.789 1.258 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -7.175 -16.193 1.931 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.234 -14.153 0.744 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.875 -13.724 0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.833 -14.053 3.140 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.109 -12.526 2.326 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.257 -14.601 2.919 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.967 -13.156 3.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.730 -12.704 2.384 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -9.383 -11.853 1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -9.870 -13.294 1.044 1.00 0.00 H new ATOM 512 N ARG A 33 -6.954 -14.821 -1.944 1.00 0.00 N ATOM 513 CA ARG A 33 -7.283 -14.001 -3.097 1.00 0.00 C ATOM 514 C ARG A 33 -7.652 -14.872 -4.294 1.00 0.00 C ATOM 515 O ARG A 33 -8.632 -14.613 -4.991 1.00 0.00 O ATOM 516 CB ARG A 33 -6.096 -13.101 -3.456 1.00 0.00 C ATOM 517 CG ARG A 33 -6.250 -12.342 -4.766 1.00 0.00 C ATOM 518 CD ARG A 33 -5.010 -11.521 -5.070 1.00 0.00 C ATOM 519 NE ARG A 33 -5.074 -10.888 -6.388 1.00 0.00 N ATOM 520 CZ ARG A 33 -4.645 -9.650 -6.652 1.00 0.00 C ATOM 521 NH1 ARG A 33 -4.124 -8.900 -5.684 1.00 0.00 N1+ ATOM 522 NH2 ARG A 33 -4.736 -9.165 -7.881 1.00 0.00 N ATOM 0 H ARG A 33 -6.015 -14.664 -1.579 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.142 -13.381 -2.842 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.945 -12.382 -2.650 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.196 -13.713 -3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.432 -13.045 -5.578 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -7.119 -11.687 -4.710 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.889 -10.753 -4.306 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.130 -12.163 -5.020 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.473 -11.428 -7.156 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.051 -9.269 -4.736 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.798 -7.956 -5.890 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.134 -9.736 -8.627 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.408 -8.220 -8.082 1.00 0.00 H new ATOM 536 N GLN A 34 -6.861 -15.904 -4.518 1.00 0.00 N ATOM 537 CA GLN A 34 -7.081 -16.802 -5.635 1.00 0.00 C ATOM 538 C GLN A 34 -7.945 -17.989 -5.221 1.00 0.00 C ATOM 539 O GLN A 34 -8.550 -18.656 -6.063 1.00 0.00 O ATOM 540 CB GLN A 34 -5.745 -17.277 -6.190 1.00 0.00 C ATOM 541 CG GLN A 34 -4.856 -16.140 -6.660 1.00 0.00 C ATOM 542 CD GLN A 34 -3.544 -16.621 -7.228 1.00 0.00 C ATOM 543 OE1 GLN A 34 -3.530 -16.889 -8.514 1.00 0.00 O flip ATOM 544 NE2 GLN A 34 -2.559 -16.755 -6.516 1.00 0.00 N flip ATOM 0 H GLN A 34 -6.056 -16.142 -3.938 1.00 0.00 H new ATOM 0 HA GLN A 34 -7.614 -16.259 -6.416 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.221 -17.846 -5.422 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.926 -17.957 -7.023 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.384 -15.561 -7.417 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -4.660 -15.468 -5.824 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -2.615 -16.535 -5.522 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -1.682 -17.087 -6.916 1.00 0.00 H new ATOM 553 N GLY A 35 -8.007 -18.238 -3.928 1.00 0.00 N ATOM 554 CA GLY A 35 -8.794 -19.338 -3.417 1.00 0.00 C ATOM 555 C GLY A 35 -7.994 -20.617 -3.330 1.00 0.00 C ATOM 556 O GLY A 35 -8.500 -21.695 -3.623 1.00 0.00 O ATOM 0 H GLY A 35 -7.522 -17.694 -3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -9.176 -19.082 -2.429 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -9.659 -19.495 -4.062 1.00 0.00 H new ATOM 560 N VAL A 36 -6.742 -20.500 -2.928 1.00 0.00 N ATOM 561 CA VAL A 36 -5.860 -21.650 -2.816 1.00 0.00 C ATOM 562 C VAL A 36 -5.411 -21.849 -1.361 1.00 0.00 C ATOM 563 O VAL A 36 -5.398 -20.896 -0.577 1.00 0.00 O ATOM 564 CB VAL A 36 -4.623 -21.511 -3.746 1.00 0.00 C ATOM 565 CG1 VAL A 36 -5.057 -21.450 -5.205 1.00 0.00 C ATOM 566 CG2 VAL A 36 -3.799 -20.285 -3.386 1.00 0.00 C ATOM 0 H VAL A 36 -6.309 -19.613 -2.671 1.00 0.00 H new ATOM 0 HA VAL A 36 -6.423 -22.528 -3.134 1.00 0.00 H new ATOM 0 HB VAL A 36 -3.996 -22.391 -3.604 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -4.178 -21.353 -5.842 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -5.593 -22.363 -5.464 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -5.711 -20.591 -5.355 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -2.941 -20.215 -4.054 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.413 -19.391 -3.489 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.452 -20.370 -2.356 1.00 0.00 H new ATOM 576 N PRO A 37 -5.082 -23.092 -0.969 1.00 0.00 N ATOM 577 CA PRO A 37 -4.651 -23.404 0.400 1.00 0.00 C ATOM 578 C PRO A 37 -3.213 -22.951 0.703 1.00 0.00 C ATOM 579 O PRO A 37 -2.248 -23.453 0.120 1.00 0.00 O ATOM 580 CB PRO A 37 -4.753 -24.928 0.459 1.00 0.00 C ATOM 581 CG PRO A 37 -4.547 -25.378 -0.948 1.00 0.00 C ATOM 582 CD PRO A 37 -5.124 -24.298 -1.825 1.00 0.00 C ATOM 0 HA PRO A 37 -5.261 -22.884 1.139 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.999 -25.350 1.124 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -5.725 -25.245 0.838 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.488 -25.525 -1.158 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -5.043 -26.332 -1.128 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.538 -24.164 -2.734 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -6.142 -24.534 -2.134 1.00 0.00 H new ATOM 590 N ALA A 38 -3.080 -22.024 1.644 1.00 0.00 N ATOM 591 CA ALA A 38 -1.778 -21.497 2.035 1.00 0.00 C ATOM 592 C ALA A 38 -1.016 -22.491 2.911 1.00 0.00 C ATOM 593 O ALA A 38 0.198 -22.370 3.095 1.00 0.00 O ATOM 594 CB ALA A 38 -1.938 -20.172 2.761 1.00 0.00 C ATOM 0 H ALA A 38 -3.865 -21.619 2.154 1.00 0.00 H new ATOM 0 HA ALA A 38 -1.198 -21.335 1.126 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.957 -19.792 3.046 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -2.428 -19.454 2.104 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.544 -20.318 3.655 1.00 0.00 H new ATOM 600 N ASP A 39 -1.731 -23.485 3.437 1.00 0.00 N ATOM 601 CA ASP A 39 -1.132 -24.496 4.319 1.00 0.00 C ATOM 602 C ASP A 39 -0.077 -25.328 3.599 1.00 0.00 C ATOM 603 O ASP A 39 0.800 -25.915 4.231 1.00 0.00 O ATOM 604 CB ASP A 39 -2.201 -25.417 4.909 1.00 0.00 C ATOM 605 CG ASP A 39 -3.093 -24.715 5.908 1.00 0.00 C ATOM 606 OD1 ASP A 39 -4.283 -24.506 5.605 1.00 0.00 O ATOM 607 OD2 ASP A 39 -2.610 -24.367 7.000 1.00 0.00 O1- ATOM 0 H ASP A 39 -2.729 -23.615 3.269 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.643 -23.954 5.129 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.813 -25.819 4.102 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.716 -26.264 5.394 1.00 0.00 H new ATOM 612 N GLN A 40 -0.163 -25.380 2.289 1.00 0.00 N ATOM 613 CA GLN A 40 0.801 -26.129 1.498 1.00 0.00 C ATOM 614 C GLN A 40 1.392 -25.242 0.413 1.00 0.00 C ATOM 615 O GLN A 40 2.029 -25.724 -0.525 1.00 0.00 O ATOM 616 CB GLN A 40 0.139 -27.355 0.877 1.00 0.00 C ATOM 617 CG GLN A 40 -1.011 -27.027 -0.058 1.00 0.00 C ATOM 618 CD GLN A 40 -1.565 -28.255 -0.732 1.00 0.00 C ATOM 619 OE1 GLN A 40 -1.097 -28.651 -1.793 1.00 0.00 O ATOM 620 NE2 GLN A 40 -2.564 -28.861 -0.128 1.00 0.00 N ATOM 0 H GLN A 40 -0.889 -24.914 1.744 1.00 0.00 H new ATOM 0 HA GLN A 40 1.605 -26.463 2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.890 -27.922 0.328 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.227 -28.001 1.675 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.804 -26.534 0.504 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.671 -26.321 -0.816 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.923 -28.497 0.755 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -2.980 -29.695 -0.542 1.00 0.00 H new ATOM 629 N LEU A 41 1.191 -23.948 0.564 1.00 0.00 N ATOM 630 CA LEU A 41 1.654 -22.978 -0.409 1.00 0.00 C ATOM 631 C LEU A 41 3.113 -22.609 -0.153 1.00 0.00 C ATOM 632 O LEU A 41 3.490 -22.260 0.970 1.00 0.00 O ATOM 633 CB LEU A 41 0.773 -21.731 -0.352 1.00 0.00 C ATOM 634 CG LEU A 41 1.046 -20.670 -1.408 1.00 0.00 C ATOM 635 CD1 LEU A 41 0.809 -21.236 -2.792 1.00 0.00 C ATOM 636 CD2 LEU A 41 0.175 -19.448 -1.176 1.00 0.00 C ATOM 0 H LEU A 41 0.704 -23.540 1.362 1.00 0.00 H new ATOM 0 HA LEU A 41 1.586 -23.419 -1.403 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.268 -22.042 -0.439 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.888 -21.274 0.631 1.00 0.00 H new ATOM 0 HG LEU A 41 2.089 -20.364 -1.331 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.008 -20.467 -3.539 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.475 -22.083 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.226 -21.566 -2.878 1.00 0.00 H new ATOM 0 HD21 LEU A 41 0.385 -18.701 -1.941 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -0.875 -19.735 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.389 -19.030 -0.192 1.00 0.00 H new ATOM 648 N ARG A 42 3.923 -22.691 -1.188 1.00 0.00 N ATOM 649 CA ARG A 42 5.336 -22.381 -1.077 1.00 0.00 C ATOM 650 C ARG A 42 5.631 -21.013 -1.659 1.00 0.00 C ATOM 651 O ARG A 42 5.103 -20.653 -2.710 1.00 0.00 O ATOM 652 CB ARG A 42 6.165 -23.417 -1.817 1.00 0.00 C ATOM 653 CG ARG A 42 7.661 -23.207 -1.681 1.00 0.00 C ATOM 654 CD ARG A 42 8.395 -23.804 -2.852 1.00 0.00 C ATOM 655 NE ARG A 42 9.845 -23.822 -2.647 1.00 0.00 N ATOM 656 CZ ARG A 42 10.732 -24.193 -3.574 1.00 0.00 C ATOM 657 NH1 ARG A 42 10.323 -24.552 -4.785 1.00 0.00 N1+ ATOM 658 NH2 ARG A 42 12.030 -24.195 -3.288 1.00 0.00 N ATOM 0 H ARG A 42 3.626 -22.972 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 42 5.597 -22.389 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.910 -24.409 -1.443 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.898 -23.396 -2.874 1.00 0.00 H new ATOM 0 HG2 ARG A 42 7.878 -22.141 -1.615 1.00 0.00 H new ATOM 0 HG3 ARG A 42 8.014 -23.662 -0.755 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.041 -24.821 -3.020 1.00 0.00 H new ATOM 0 HD3 ARG A 42 8.164 -23.234 -3.752 1.00 0.00 H new ATOM 0 HE ARG A 42 10.201 -23.532 -1.736 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.328 -24.545 -5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 42 11.004 -24.835 -5.490 1.00 0.00 H new ATOM 0 HH21 ARG A 42 12.348 -23.913 -2.361 1.00 0.00 H new ATOM 0 HH22 ARG A 42 12.708 -24.478 -3.996 1.00 0.00 H new ATOM 672 N VAL A 43 6.476 -20.256 -0.985 1.00 0.00 N ATOM 673 CA VAL A 43 6.869 -18.956 -1.477 1.00 0.00 C ATOM 674 C VAL A 43 8.389 -18.841 -1.505 1.00 0.00 C ATOM 675 O VAL A 43 9.073 -19.322 -0.600 1.00 0.00 O ATOM 676 CB VAL A 43 6.258 -17.791 -0.642 1.00 0.00 C ATOM 677 CG1 VAL A 43 4.739 -17.864 -0.639 1.00 0.00 C ATOM 678 CG2 VAL A 43 6.791 -17.798 0.785 1.00 0.00 C ATOM 0 H VAL A 43 6.901 -20.521 -0.097 1.00 0.00 H new ATOM 0 HA VAL A 43 6.476 -18.865 -2.490 1.00 0.00 H new ATOM 0 HB VAL A 43 6.558 -16.855 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.336 -17.040 -0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.369 -17.793 -1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.421 -18.811 -0.203 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.347 -16.974 1.343 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.533 -18.742 1.265 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.875 -17.683 0.769 1.00 0.00 H new ATOM 688 N ILE A 44 8.907 -18.244 -2.555 1.00 0.00 N ATOM 689 CA ILE A 44 10.333 -18.082 -2.717 1.00 0.00 C ATOM 690 C ILE A 44 10.702 -16.628 -2.963 1.00 0.00 C ATOM 691 O ILE A 44 10.227 -15.999 -3.914 1.00 0.00 O ATOM 692 CB ILE A 44 10.881 -18.956 -3.882 1.00 0.00 C ATOM 693 CG1 ILE A 44 10.772 -20.446 -3.539 1.00 0.00 C ATOM 694 CG2 ILE A 44 12.326 -18.590 -4.217 1.00 0.00 C ATOM 695 CD1 ILE A 44 11.591 -20.857 -2.330 1.00 0.00 C ATOM 0 H ILE A 44 8.352 -17.858 -3.319 1.00 0.00 H new ATOM 0 HA ILE A 44 10.791 -18.412 -1.785 1.00 0.00 H new ATOM 0 HB ILE A 44 10.270 -18.756 -4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 44 9.726 -20.692 -3.358 1.00 0.00 H new ATOM 0 HG13 ILE A 44 11.093 -21.032 -4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 44 12.680 -19.218 -5.035 1.00 0.00 H new ATOM 0 HG22 ILE A 44 12.376 -17.543 -4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 44 12.954 -18.748 -3.340 1.00 0.00 H new ATOM 0 HD11 ILE A 44 11.463 -21.924 -2.150 1.00 0.00 H new ATOM 0 HD12 ILE A 44 12.644 -20.644 -2.514 1.00 0.00 H new ATOM 0 HD13 ILE A 44 11.255 -20.299 -1.456 1.00 0.00 H new ATOM 707 N PHE A 45 11.521 -16.102 -2.084 1.00 0.00 N ATOM 708 CA PHE A 45 12.054 -14.774 -2.214 1.00 0.00 C ATOM 709 C PHE A 45 13.557 -14.847 -2.031 1.00 0.00 C ATOM 710 O PHE A 45 14.032 -15.173 -0.945 1.00 0.00 O ATOM 711 CB PHE A 45 11.435 -13.850 -1.164 1.00 0.00 C ATOM 712 CG PHE A 45 11.885 -12.417 -1.264 1.00 0.00 C ATOM 713 CD1 PHE A 45 11.146 -11.498 -1.982 1.00 0.00 C ATOM 714 CD2 PHE A 45 13.046 -11.990 -0.630 1.00 0.00 C ATOM 715 CE1 PHE A 45 11.548 -10.182 -2.067 1.00 0.00 C ATOM 716 CE2 PHE A 45 13.454 -10.677 -0.714 1.00 0.00 C ATOM 717 CZ PHE A 45 12.704 -9.770 -1.433 1.00 0.00 C ATOM 0 H PHE A 45 11.838 -16.594 -1.248 1.00 0.00 H new ATOM 0 HA PHE A 45 11.817 -14.370 -3.198 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.350 -13.886 -1.258 1.00 0.00 H new ATOM 0 HB3 PHE A 45 11.681 -14.229 -0.172 1.00 0.00 H new ATOM 0 HD1 PHE A 45 10.243 -11.814 -2.483 1.00 0.00 H new ATOM 0 HD2 PHE A 45 13.636 -12.696 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 45 10.959 -9.473 -2.630 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.359 -10.359 -0.218 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.020 -8.739 -1.500 1.00 0.00 H new ATOM 727 N ALA A 46 14.299 -14.599 -3.108 1.00 0.00 N ATOM 728 CA ALA A 46 15.767 -14.649 -3.084 1.00 0.00 C ATOM 729 C ALA A 46 16.270 -16.064 -2.769 1.00 0.00 C ATOM 730 O ALA A 46 17.403 -16.251 -2.317 1.00 0.00 O ATOM 731 CB ALA A 46 16.331 -13.635 -2.086 1.00 0.00 C ATOM 0 H ALA A 46 13.907 -14.359 -4.019 1.00 0.00 H new ATOM 0 HA ALA A 46 16.125 -14.382 -4.078 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.420 -13.691 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 46 16.019 -12.631 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 46 15.956 -13.860 -1.087 1.00 0.00 H new ATOM 737 N GLY A 47 15.420 -17.054 -3.019 1.00 0.00 N ATOM 738 CA GLY A 47 15.794 -18.435 -2.786 1.00 0.00 C ATOM 739 C GLY A 47 15.473 -18.911 -1.382 1.00 0.00 C ATOM 740 O GLY A 47 15.974 -19.942 -0.943 1.00 0.00 O ATOM 0 H GLY A 47 14.475 -16.923 -3.380 1.00 0.00 H new ATOM 0 HA2 GLY A 47 15.278 -19.071 -3.505 1.00 0.00 H new ATOM 0 HA3 GLY A 47 16.863 -18.551 -2.967 1.00 0.00 H new ATOM 744 N LYS A 48 14.642 -18.164 -0.675 1.00 0.00 N ATOM 745 CA LYS A 48 14.263 -18.525 0.686 1.00 0.00 C ATOM 746 C LYS A 48 12.856 -18.048 0.998 1.00 0.00 C ATOM 747 O LYS A 48 12.231 -17.364 0.188 1.00 0.00 O ATOM 748 CB LYS A 48 15.227 -17.893 1.692 1.00 0.00 C ATOM 749 CG LYS A 48 15.295 -16.376 1.596 1.00 0.00 C ATOM 750 CD LYS A 48 15.663 -15.752 2.923 1.00 0.00 C ATOM 751 CE LYS A 48 15.832 -14.244 2.805 1.00 0.00 C ATOM 752 NZ LYS A 48 16.130 -13.612 4.115 1.00 0.00 N1+ ATOM 0 H LYS A 48 14.215 -17.303 -1.018 1.00 0.00 H new ATOM 0 HA LYS A 48 14.304 -19.611 0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.922 -18.172 2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.224 -18.304 1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.029 -16.091 0.843 1.00 0.00 H new ATOM 0 HG3 LYS A 48 14.332 -15.988 1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.890 -15.976 3.658 1.00 0.00 H new ATOM 0 HD3 LYS A 48 16.589 -16.195 3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 48 16.638 -14.023 2.105 1.00 0.00 H new ATOM 0 HE3 LYS A 48 14.922 -13.809 2.391 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 16.237 -12.585 3.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 15.350 -13.800 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.012 -14.008 4.499 1.00 0.00 H new ATOM 766 N GLU A 49 12.363 -18.415 2.166 1.00 0.00 N ATOM 767 CA GLU A 49 11.090 -17.926 2.637 1.00 0.00 C ATOM 768 C GLU A 49 11.360 -16.825 3.646 1.00 0.00 C ATOM 769 O GLU A 49 12.270 -16.939 4.466 1.00 0.00 O ATOM 770 CB GLU A 49 10.262 -19.054 3.260 1.00 0.00 C ATOM 771 CG GLU A 49 8.855 -18.639 3.667 1.00 0.00 C ATOM 772 CD GLU A 49 8.031 -19.800 4.173 1.00 0.00 C ATOM 773 OE1 GLU A 49 8.252 -20.233 5.322 1.00 0.00 O ATOM 774 OE2 GLU A 49 7.157 -20.288 3.419 1.00 0.00 O1- ATOM 0 H GLU A 49 12.832 -19.055 2.807 1.00 0.00 H new ATOM 0 HA GLU A 49 10.508 -17.534 1.803 1.00 0.00 H new ATOM 0 HB2 GLU A 49 10.195 -19.877 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 49 10.786 -19.433 4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.915 -17.876 4.443 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.352 -18.186 2.812 1.00 0.00 H new ATOM 781 N LEU A 50 10.596 -15.764 3.572 1.00 0.00 N ATOM 782 CA LEU A 50 10.833 -14.601 4.406 1.00 0.00 C ATOM 783 C LEU A 50 10.327 -14.757 5.826 1.00 0.00 C ATOM 784 O LEU A 50 9.800 -15.803 6.214 1.00 0.00 O ATOM 785 CB LEU A 50 10.231 -13.364 3.766 1.00 0.00 C ATOM 786 CG LEU A 50 10.830 -12.980 2.433 1.00 0.00 C ATOM 787 CD1 LEU A 50 10.161 -11.739 1.889 1.00 0.00 C ATOM 788 CD2 LEU A 50 12.330 -12.777 2.570 1.00 0.00 C ATOM 0 H LEU A 50 9.799 -15.677 2.941 1.00 0.00 H new ATOM 0 HA LEU A 50 11.915 -14.493 4.478 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.161 -13.526 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 50 10.344 -12.526 4.453 1.00 0.00 H new ATOM 0 HG LEU A 50 10.659 -13.791 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.605 -11.477 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 50 9.096 -11.928 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.299 -10.915 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 50 12.750 -12.501 1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.525 -11.983 3.291 1.00 0.00 H new ATOM 0 HD23 LEU A 50 12.792 -13.702 2.915 1.00 0.00 H new ATOM 800 N ARG A 51 10.503 -13.689 6.591 1.00 0.00 N ATOM 801 CA ARG A 51 10.114 -13.625 7.989 1.00 0.00 C ATOM 802 C ARG A 51 8.601 -13.740 8.124 1.00 0.00 C ATOM 803 O ARG A 51 7.880 -12.766 7.921 1.00 0.00 O ATOM 804 CB ARG A 51 10.576 -12.293 8.576 1.00 0.00 C ATOM 805 CG ARG A 51 12.019 -11.939 8.258 1.00 0.00 C ATOM 806 CD ARG A 51 12.996 -12.874 8.950 1.00 0.00 C ATOM 807 NE ARG A 51 12.903 -12.769 10.411 1.00 0.00 N ATOM 808 CZ ARG A 51 13.849 -13.171 11.265 1.00 0.00 C ATOM 809 NH1 ARG A 51 14.978 -13.710 10.814 1.00 0.00 N1+ ATOM 810 NH2 ARG A 51 13.664 -13.026 12.574 1.00 0.00 N ATOM 0 H ARG A 51 10.928 -12.827 6.249 1.00 0.00 H new ATOM 0 HA ARG A 51 10.578 -14.452 8.527 1.00 0.00 H new ATOM 0 HB2 ARG A 51 9.928 -11.500 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 51 10.451 -12.323 9.658 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.175 -11.984 7.180 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.218 -10.913 8.567 1.00 0.00 H new ATOM 0 HD2 ARG A 51 12.795 -13.901 8.645 1.00 0.00 H new ATOM 0 HD3 ARG A 51 14.012 -12.640 8.632 1.00 0.00 H new ATOM 0 HE ARG A 51 12.055 -12.360 10.803 1.00 0.00 H new ATOM 0 HH11 ARG A 51 15.126 -13.819 9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.696 -14.015 11.471 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.802 -12.609 12.924 1.00 0.00 H new ATOM 0 HH22 ARG A 51 14.385 -13.332 13.228 1.00 0.00 H new ATOM 824 N ASN A 52 8.134 -14.930 8.469 1.00 0.00 N ATOM 825 CA ASN A 52 6.701 -15.210 8.589 1.00 0.00 C ATOM 826 C ASN A 52 5.996 -14.185 9.471 1.00 0.00 C ATOM 827 O ASN A 52 4.999 -13.580 9.059 1.00 0.00 O ATOM 828 CB ASN A 52 6.472 -16.620 9.139 1.00 0.00 C ATOM 829 CG ASN A 52 6.923 -17.708 8.183 1.00 0.00 C ATOM 830 OD1 ASN A 52 6.867 -17.545 6.966 1.00 0.00 O ATOM 831 ND2 ASN A 52 7.370 -18.825 8.726 1.00 0.00 N ATOM 0 H ASN A 52 8.731 -15.731 8.674 1.00 0.00 H new ATOM 0 HA ASN A 52 6.273 -15.142 7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 52 7.007 -16.728 10.082 1.00 0.00 H new ATOM 0 HB3 ASN A 52 5.412 -16.752 9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 52 7.684 -19.591 8.131 1.00 0.00 H new ATOM 0 HD22 ASN A 52 7.401 -18.922 9.741 1.00 0.00 H new ATOM 838 N ASP A 53 6.524 -13.971 10.662 1.00 0.00 N ATOM 839 CA ASP A 53 5.923 -13.033 11.594 1.00 0.00 C ATOM 840 C ASP A 53 6.653 -11.700 11.549 1.00 0.00 C ATOM 841 O ASP A 53 7.328 -11.305 12.500 1.00 0.00 O ATOM 842 CB ASP A 53 5.912 -13.599 13.022 1.00 0.00 C ATOM 843 CG ASP A 53 5.127 -12.724 13.987 1.00 0.00 C ATOM 844 OD1 ASP A 53 3.871 -12.750 13.940 1.00 0.00 O ATOM 845 OD2 ASP A 53 5.756 -12.009 14.799 1.00 0.00 O1- ATOM 0 H ASP A 53 7.366 -14.432 11.007 1.00 0.00 H new ATOM 0 HA ASP A 53 4.888 -12.872 11.292 1.00 0.00 H new ATOM 0 HB2 ASP A 53 5.480 -14.600 13.010 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.937 -13.699 13.378 1.00 0.00 H new ATOM 850 N TRP A 54 6.556 -11.039 10.421 1.00 0.00 N ATOM 851 CA TRP A 54 7.163 -9.734 10.240 1.00 0.00 C ATOM 852 C TRP A 54 6.574 -9.057 9.014 1.00 0.00 C ATOM 853 O TRP A 54 6.211 -9.726 8.045 1.00 0.00 O ATOM 854 CB TRP A 54 8.681 -9.859 10.113 1.00 0.00 C ATOM 855 CG TRP A 54 9.400 -8.548 10.073 1.00 0.00 C ATOM 856 CD1 TRP A 54 10.266 -8.121 9.111 1.00 0.00 C ATOM 857 CD2 TRP A 54 9.306 -7.484 11.031 1.00 0.00 C ATOM 858 NE1 TRP A 54 10.725 -6.867 9.416 1.00 0.00 N ATOM 859 CE2 TRP A 54 10.146 -6.452 10.585 1.00 0.00 C ATOM 860 CE3 TRP A 54 8.593 -7.306 12.221 1.00 0.00 C ATOM 861 CZ2 TRP A 54 10.296 -5.260 11.285 1.00 0.00 C ATOM 862 CZ3 TRP A 54 8.741 -6.121 12.915 1.00 0.00 C ATOM 863 CH2 TRP A 54 9.586 -5.112 12.444 1.00 0.00 C ATOM 0 H TRP A 54 6.056 -11.386 9.602 1.00 0.00 H new ATOM 0 HA TRP A 54 6.949 -9.121 11.116 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.058 -10.443 10.953 1.00 0.00 H new ATOM 0 HB3 TRP A 54 8.914 -10.417 9.206 1.00 0.00 H new ATOM 0 HD1 TRP A 54 10.549 -8.688 8.237 1.00 0.00 H new ATOM 0 HE1 TRP A 54 11.391 -6.329 8.861 1.00 0.00 H new ATOM 0 HE3 TRP A 54 7.938 -8.081 12.591 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 10.950 -4.479 10.926 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 8.196 -5.972 13.835 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.680 -4.196 13.008 1.00 0.00 H new ATOM 874 N THR A 55 6.477 -7.739 9.066 1.00 0.00 N ATOM 875 CA THR A 55 5.879 -6.963 7.997 1.00 0.00 C ATOM 876 C THR A 55 6.673 -7.046 6.688 1.00 0.00 C ATOM 877 O THR A 55 7.911 -7.070 6.678 1.00 0.00 O ATOM 878 CB THR A 55 5.692 -5.481 8.401 1.00 0.00 C ATOM 879 OG1 THR A 55 5.136 -4.744 7.303 1.00 0.00 O ATOM 880 CG2 THR A 55 7.017 -4.853 8.820 1.00 0.00 C ATOM 0 H THR A 55 6.811 -7.179 9.850 1.00 0.00 H new ATOM 0 HA THR A 55 4.900 -7.409 7.822 1.00 0.00 H new ATOM 0 HB THR A 55 5.011 -5.445 9.251 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.839 -3.864 7.617 1.00 0.00 H new ATOM 0 HG21 THR A 55 6.854 -3.812 9.098 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.424 -5.397 9.672 1.00 0.00 H new ATOM 0 HG23 THR A 55 7.721 -4.901 7.989 1.00 0.00 H new ATOM 888 N VAL A 56 5.934 -7.082 5.594 1.00 0.00 N ATOM 889 CA VAL A 56 6.483 -7.134 4.258 1.00 0.00 C ATOM 890 C VAL A 56 7.139 -5.799 3.891 1.00 0.00 C ATOM 891 O VAL A 56 8.063 -5.747 3.065 1.00 0.00 O ATOM 892 CB VAL A 56 5.360 -7.465 3.233 1.00 0.00 C ATOM 893 CG1 VAL A 56 4.267 -6.405 3.249 1.00 0.00 C ATOM 894 CG2 VAL A 56 5.923 -7.625 1.840 1.00 0.00 C ATOM 0 H VAL A 56 4.914 -7.076 5.614 1.00 0.00 H new ATOM 0 HA VAL A 56 7.241 -7.916 4.229 1.00 0.00 H new ATOM 0 HB VAL A 56 4.915 -8.414 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.497 -6.665 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.824 -6.354 4.244 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.696 -5.436 2.992 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.115 -7.856 1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 56 6.410 -6.698 1.536 1.00 0.00 H new ATOM 0 HG23 VAL A 56 6.651 -8.436 1.833 1.00 0.00 H new ATOM 904 N GLN A 57 6.672 -4.731 4.531 1.00 0.00 N ATOM 905 CA GLN A 57 7.167 -3.392 4.270 1.00 0.00 C ATOM 906 C GLN A 57 8.663 -3.288 4.533 1.00 0.00 C ATOM 907 O GLN A 57 9.416 -2.782 3.700 1.00 0.00 O ATOM 908 CB GLN A 57 6.412 -2.374 5.123 1.00 0.00 C ATOM 909 CG GLN A 57 6.956 -0.962 5.027 1.00 0.00 C ATOM 910 CD GLN A 57 6.205 0.004 5.908 1.00 0.00 C ATOM 911 OE1 GLN A 57 5.235 0.626 5.479 1.00 0.00 O ATOM 912 NE2 GLN A 57 6.640 0.134 7.145 1.00 0.00 N ATOM 0 H GLN A 57 5.942 -4.774 5.242 1.00 0.00 H new ATOM 0 HA GLN A 57 6.996 -3.174 3.216 1.00 0.00 H new ATOM 0 HB2 GLN A 57 5.364 -2.370 4.822 1.00 0.00 H new ATOM 0 HB3 GLN A 57 6.443 -2.694 6.164 1.00 0.00 H new ATOM 0 HG2 GLN A 57 8.009 -0.961 5.307 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.901 -0.624 3.992 1.00 0.00 H new ATOM 0 HE21 GLN A 57 7.449 -0.401 7.460 1.00 0.00 H new ATOM 0 HE22 GLN A 57 6.168 0.770 7.787 1.00 0.00 H new ATOM 921 N ASN A 58 9.087 -3.802 5.673 1.00 0.00 N ATOM 922 CA ASN A 58 10.484 -3.727 6.082 1.00 0.00 C ATOM 923 C ASN A 58 11.395 -4.573 5.194 1.00 0.00 C ATOM 924 O ASN A 58 12.591 -4.312 5.095 1.00 0.00 O ATOM 925 CB ASN A 58 10.633 -4.135 7.548 1.00 0.00 C ATOM 926 CG ASN A 58 12.084 -4.243 7.984 1.00 0.00 C ATOM 927 OD1 ASN A 58 12.674 -5.322 7.938 1.00 0.00 O ATOM 928 ND2 ASN A 58 12.663 -3.139 8.397 1.00 0.00 N ATOM 0 H ASN A 58 8.481 -4.280 6.339 1.00 0.00 H new ATOM 0 HA ASN A 58 10.799 -2.690 5.967 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.123 -3.406 8.177 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.139 -5.094 7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.638 -3.155 8.695 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.137 -2.265 8.419 1.00 0.00 H new ATOM 935 N CYS A 59 10.843 -5.581 4.546 1.00 0.00 N ATOM 936 CA CYS A 59 11.648 -6.427 3.687 1.00 0.00 C ATOM 937 C CYS A 59 11.755 -5.825 2.279 1.00 0.00 C ATOM 938 O CYS A 59 12.563 -6.267 1.463 1.00 0.00 O ATOM 939 CB CYS A 59 11.094 -7.850 3.640 1.00 0.00 C ATOM 940 SG CYS A 59 12.175 -9.031 2.799 1.00 0.00 S ATOM 0 H CYS A 59 9.856 -5.831 4.596 1.00 0.00 H new ATOM 0 HA CYS A 59 12.652 -6.479 4.108 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.919 -8.195 4.659 1.00 0.00 H new ATOM 0 HB3 CYS A 59 10.127 -7.836 3.137 1.00 0.00 H new ATOM 0 HG CYS A 59 12.862 -8.415 1.884 1.00 0.00 H new ATOM 946 N ASP A 60 10.924 -4.809 2.018 1.00 0.00 N ATOM 947 CA ASP A 60 10.942 -4.059 0.750 1.00 0.00 C ATOM 948 C ASP A 60 10.727 -4.943 -0.478 1.00 0.00 C ATOM 949 O ASP A 60 11.492 -4.873 -1.432 1.00 0.00 O ATOM 950 CB ASP A 60 12.255 -3.267 0.594 1.00 0.00 C ATOM 951 CG ASP A 60 12.374 -2.109 1.561 1.00 0.00 C ATOM 952 OD1 ASP A 60 11.775 -1.050 1.298 1.00 0.00 O ATOM 953 OD2 ASP A 60 13.080 -2.247 2.580 1.00 0.00 O1- ATOM 0 H ASP A 60 10.219 -4.481 2.678 1.00 0.00 H new ATOM 0 HA ASP A 60 10.100 -3.368 0.803 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.098 -3.942 0.741 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.324 -2.888 -0.426 1.00 0.00 H new ATOM 958 N LEU A 61 9.663 -5.747 -0.473 1.00 0.00 N ATOM 959 CA LEU A 61 9.347 -6.608 -1.632 1.00 0.00 C ATOM 960 C LEU A 61 8.918 -5.767 -2.835 1.00 0.00 C ATOM 961 O LEU A 61 8.817 -6.258 -3.955 1.00 0.00 O ATOM 962 CB LEU A 61 8.257 -7.639 -1.287 1.00 0.00 C ATOM 963 CG LEU A 61 8.712 -8.854 -0.469 1.00 0.00 C ATOM 964 CD1 LEU A 61 9.237 -8.439 0.885 1.00 0.00 C ATOM 965 CD2 LEU A 61 7.580 -9.852 -0.319 1.00 0.00 C ATOM 0 H LEU A 61 9.009 -5.826 0.305 1.00 0.00 H new ATOM 0 HA LEU A 61 10.256 -7.151 -1.892 1.00 0.00 H new ATOM 0 HB2 LEU A 61 7.466 -7.131 -0.735 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.817 -7.997 -2.218 1.00 0.00 H new ATOM 0 HG LEU A 61 9.527 -9.333 -1.011 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.551 -9.323 1.440 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.088 -7.770 0.756 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.451 -7.924 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.923 -10.706 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.742 -9.377 0.191 1.00 0.00 H new ATOM 0 HD23 LEU A 61 7.260 -10.190 -1.305 1.00 0.00 H new ATOM 977 N ASP A 62 8.653 -4.502 -2.580 1.00 0.00 N ATOM 978 CA ASP A 62 8.296 -3.549 -3.622 1.00 0.00 C ATOM 979 C ASP A 62 9.532 -3.152 -4.425 1.00 0.00 C ATOM 980 O ASP A 62 9.465 -2.940 -5.635 1.00 0.00 O ATOM 981 CB ASP A 62 7.660 -2.302 -2.984 1.00 0.00 C ATOM 982 CG ASP A 62 7.683 -1.079 -3.891 1.00 0.00 C ATOM 983 OD1 ASP A 62 6.786 -0.940 -4.738 1.00 0.00 O ATOM 984 OD2 ASP A 62 8.599 -0.246 -3.743 1.00 0.00 O1- ATOM 0 H ASP A 62 8.678 -4.100 -1.643 1.00 0.00 H new ATOM 0 HA ASP A 62 7.579 -4.015 -4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 62 6.628 -2.527 -2.716 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.186 -2.068 -2.058 1.00 0.00 H new ATOM 989 N GLN A 63 10.663 -3.093 -3.746 1.00 0.00 N ATOM 990 CA GLN A 63 11.906 -2.654 -4.354 1.00 0.00 C ATOM 991 C GLN A 63 12.831 -3.832 -4.666 1.00 0.00 C ATOM 992 O GLN A 63 13.587 -3.801 -5.637 1.00 0.00 O ATOM 993 CB GLN A 63 12.611 -1.676 -3.406 1.00 0.00 C ATOM 994 CG GLN A 63 13.881 -1.054 -3.962 1.00 0.00 C ATOM 995 CD GLN A 63 13.619 -0.177 -5.167 1.00 0.00 C ATOM 996 OE1 GLN A 63 13.665 -0.636 -6.308 1.00 0.00 O ATOM 997 NE2 GLN A 63 13.343 1.083 -4.920 1.00 0.00 N ATOM 0 H GLN A 63 10.746 -3.347 -2.762 1.00 0.00 H new ATOM 0 HA GLN A 63 11.670 -2.162 -5.297 1.00 0.00 H new ATOM 0 HB2 GLN A 63 11.915 -0.878 -3.147 1.00 0.00 H new ATOM 0 HB3 GLN A 63 12.854 -2.200 -2.481 1.00 0.00 H new ATOM 0 HG2 GLN A 63 14.362 -0.462 -3.184 1.00 0.00 H new ATOM 0 HG3 GLN A 63 14.578 -1.845 -4.238 1.00 0.00 H new ATOM 0 HE21 GLN A 63 13.316 1.420 -3.958 1.00 0.00 H new ATOM 0 HE22 GLN A 63 13.156 1.725 -5.691 1.00 0.00 H new ATOM 1006 N GLN A 64 12.766 -4.863 -3.850 1.00 0.00 N ATOM 1007 CA GLN A 64 13.657 -5.998 -3.993 1.00 0.00 C ATOM 1008 C GLN A 64 12.970 -7.218 -4.597 1.00 0.00 C ATOM 1009 O GLN A 64 12.154 -7.861 -3.945 1.00 0.00 O ATOM 1010 CB GLN A 64 14.263 -6.363 -2.635 1.00 0.00 C ATOM 1011 CG GLN A 64 15.192 -5.304 -2.068 1.00 0.00 C ATOM 1012 CD GLN A 64 16.416 -5.090 -2.933 1.00 0.00 C ATOM 1013 OE1 GLN A 64 16.414 -4.258 -3.841 1.00 0.00 O ATOM 1014 NE2 GLN A 64 17.464 -5.841 -2.665 1.00 0.00 N ATOM 0 H GLN A 64 12.104 -4.940 -3.078 1.00 0.00 H new ATOM 0 HA GLN A 64 14.443 -5.698 -4.685 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.456 -6.541 -1.925 1.00 0.00 H new ATOM 0 HB3 GLN A 64 14.813 -7.299 -2.734 1.00 0.00 H new ATOM 0 HG2 GLN A 64 14.650 -4.363 -1.970 1.00 0.00 H new ATOM 0 HG3 GLN A 64 15.505 -5.597 -1.066 1.00 0.00 H new ATOM 0 HE21 GLN A 64 17.425 -6.519 -1.904 1.00 0.00 H new ATOM 0 HE22 GLN A 64 18.315 -5.745 -3.219 1.00 0.00 H new HETATM 1023 N SEP A 65 13.313 -7.511 -5.852 1.00 0.00 N HETATM 1024 CA SEP A 65 12.857 -8.721 -6.557 1.00 0.00 C HETATM 1025 CB SEP A 65 13.453 -9.959 -5.881 1.00 0.00 C HETATM 1026 OG SEP A 65 14.874 -9.890 -5.868 1.00 0.00 O HETATM 1027 C SEP A 65 11.330 -8.858 -6.639 1.00 0.00 C HETATM 1028 O SEP A 65 10.577 -7.911 -6.378 1.00 0.00 O HETATM 1029 P SEP A 65 15.687 -10.328 -7.150 1.00 0.00 P HETATM 1030 O1P SEP A 65 17.098 -10.592 -6.890 1.00 0.00 O HETATM 1031 O2P SEP A 65 15.036 -11.361 -7.953 1.00 0.00 O HETATM 1032 O3P SEP A 65 15.692 -9.044 -8.081 1.00 0.00 O HETATM 0 HB3 SEP A 65 13.078 -10.038 -4.860 1.00 0.00 H new HETATM 0 HB2 SEP A 65 13.132 -10.857 -6.409 1.00 0.00 H new HETATM 0 HA SEP A 65 13.208 -8.631 -7.585 1.00 0.00 H new ATOM 1037 N ILE A 66 10.895 -10.047 -7.046 1.00 0.00 N ATOM 1038 CA ILE A 66 9.496 -10.384 -7.141 1.00 0.00 C ATOM 1039 C ILE A 66 9.258 -11.688 -6.371 1.00 0.00 C ATOM 1040 O ILE A 66 10.157 -12.537 -6.286 1.00 0.00 O ATOM 1041 CB ILE A 66 9.047 -10.532 -8.633 1.00 0.00 C ATOM 1042 CG1 ILE A 66 7.531 -10.612 -8.743 1.00 0.00 C ATOM 1043 CG2 ILE A 66 9.668 -11.761 -9.270 1.00 0.00 C ATOM 1044 CD1 ILE A 66 7.017 -10.484 -10.162 1.00 0.00 C ATOM 0 H ILE A 66 11.519 -10.806 -7.320 1.00 0.00 H new ATOM 0 HA ILE A 66 8.900 -9.581 -6.706 1.00 0.00 H new ATOM 0 HB ILE A 66 9.393 -9.646 -9.165 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.195 -11.562 -8.328 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.089 -9.824 -8.133 1.00 0.00 H new ATOM 0 HG21 ILE A 66 9.339 -11.839 -10.306 1.00 0.00 H new ATOM 0 HG22 ILE A 66 10.754 -11.677 -9.239 1.00 0.00 H new ATOM 0 HG23 ILE A 66 9.357 -12.651 -8.723 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.929 -10.550 -10.162 1.00 0.00 H new ATOM 0 HD12 ILE A 66 7.322 -9.522 -10.574 1.00 0.00 H new ATOM 0 HD13 ILE A 66 7.430 -11.287 -10.772 1.00 0.00 H new ATOM 1056 N VAL A 67 8.085 -11.839 -5.794 1.00 0.00 N ATOM 1057 CA VAL A 67 7.781 -13.022 -5.001 1.00 0.00 C ATOM 1058 C VAL A 67 7.372 -14.185 -5.890 1.00 0.00 C ATOM 1059 O VAL A 67 6.408 -14.087 -6.643 1.00 0.00 O ATOM 1060 CB VAL A 67 6.647 -12.747 -3.994 1.00 0.00 C ATOM 1061 CG1 VAL A 67 6.507 -13.898 -3.006 1.00 0.00 C ATOM 1062 CG2 VAL A 67 6.882 -11.438 -3.267 1.00 0.00 C ATOM 0 H VAL A 67 7.325 -11.162 -5.856 1.00 0.00 H new ATOM 0 HA VAL A 67 8.690 -13.280 -4.457 1.00 0.00 H new ATOM 0 HB VAL A 67 5.713 -12.665 -4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 67 5.700 -13.680 -2.306 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.280 -14.816 -3.547 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.440 -14.022 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 67 6.070 -11.263 -2.561 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.828 -11.486 -2.727 1.00 0.00 H new ATOM 0 HG23 VAL A 67 6.917 -10.622 -3.989 1.00 0.00 H new ATOM 1072 N HIS A 68 8.108 -15.277 -5.808 1.00 0.00 N ATOM 1073 CA HIS A 68 7.785 -16.468 -6.579 1.00 0.00 C ATOM 1074 C HIS A 68 6.990 -17.432 -5.719 1.00 0.00 C ATOM 1075 O HIS A 68 7.526 -18.041 -4.804 1.00 0.00 O ATOM 1076 CB HIS A 68 9.057 -17.161 -7.087 1.00 0.00 C ATOM 1077 CG HIS A 68 9.813 -16.397 -8.136 1.00 0.00 C ATOM 1078 ND1 HIS A 68 10.101 -15.078 -8.204 1.00 0.00 N flip ATOM 1079 CD2 HIS A 68 10.370 -17.033 -9.220 1.00 0.00 C flip ATOM 1080 CE1 HIS A 68 10.850 -14.890 -9.336 1.00 0.00 C flip ATOM 1081 NE2 HIS A 68 10.984 -16.089 -9.914 1.00 0.00 N flip ATOM 0 H HIS A 68 8.934 -15.367 -5.216 1.00 0.00 H new ATOM 0 HA HIS A 68 7.192 -16.166 -7.442 1.00 0.00 H new ATOM 0 HB2 HIS A 68 9.719 -17.341 -6.240 1.00 0.00 H new ATOM 0 HB3 HIS A 68 8.786 -18.136 -7.492 1.00 0.00 H new ATOM 0 HD1 HIS A 68 9.815 -14.359 -7.539 1.00 0.00 H new ATOM 0 HD2 HIS A 68 10.317 -18.086 -9.456 1.00 0.00 H new ATOM 0 HE1 HIS A 68 11.254 -13.954 -9.693 1.00 0.00 H new ATOM 1089 N ILE A 69 5.721 -17.558 -6.001 1.00 0.00 N ATOM 1090 CA ILE A 69 4.866 -18.444 -5.249 1.00 0.00 C ATOM 1091 C ILE A 69 4.527 -19.671 -6.080 1.00 0.00 C ATOM 1092 O ILE A 69 4.101 -19.550 -7.220 1.00 0.00 O ATOM 1093 CB ILE A 69 3.566 -17.727 -4.819 1.00 0.00 C ATOM 1094 CG1 ILE A 69 3.898 -16.467 -4.008 1.00 0.00 C ATOM 1095 CG2 ILE A 69 2.680 -18.663 -4.018 1.00 0.00 C ATOM 1096 CD1 ILE A 69 2.687 -15.778 -3.416 1.00 0.00 C ATOM 0 H ILE A 69 5.251 -17.054 -6.753 1.00 0.00 H new ATOM 0 HA ILE A 69 5.402 -18.752 -4.351 1.00 0.00 H new ATOM 0 HB ILE A 69 3.021 -17.428 -5.714 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.580 -16.736 -3.202 1.00 0.00 H new ATOM 0 HG13 ILE A 69 4.426 -15.762 -4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.770 -18.140 -3.724 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.421 -19.529 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.212 -18.993 -3.126 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.006 -14.897 -2.858 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.013 -15.476 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 69 2.169 -16.464 -2.746 1.00 0.00 H new ATOM 1108 N VAL A 70 4.727 -20.847 -5.514 1.00 0.00 N ATOM 1109 CA VAL A 70 4.464 -22.088 -6.229 1.00 0.00 C ATOM 1110 C VAL A 70 3.552 -22.994 -5.412 1.00 0.00 C ATOM 1111 O VAL A 70 3.737 -23.146 -4.202 1.00 0.00 O ATOM 1112 CB VAL A 70 5.783 -22.850 -6.551 1.00 0.00 C ATOM 1113 CG1 VAL A 70 5.503 -24.102 -7.374 1.00 0.00 C ATOM 1114 CG2 VAL A 70 6.771 -21.947 -7.280 1.00 0.00 C ATOM 0 H VAL A 70 5.071 -20.972 -4.562 1.00 0.00 H new ATOM 0 HA VAL A 70 3.974 -21.823 -7.166 1.00 0.00 H new ATOM 0 HB VAL A 70 6.229 -23.154 -5.604 1.00 0.00 H new ATOM 0 HG11 VAL A 70 6.441 -24.616 -7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.844 -24.766 -6.814 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.024 -23.821 -8.312 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.684 -22.504 -7.493 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.329 -21.604 -8.215 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.008 -21.087 -6.654 1.00 0.00 H new ATOM 1124 N GLN A 71 2.564 -23.581 -6.068 1.00 0.00 N ATOM 1125 CA GLN A 71 1.650 -24.489 -5.411 1.00 0.00 C ATOM 1126 C GLN A 71 1.415 -25.724 -6.268 1.00 0.00 C ATOM 1127 O GLN A 71 1.038 -25.618 -7.440 1.00 0.00 O ATOM 1128 CB GLN A 71 0.323 -23.797 -5.128 1.00 0.00 C ATOM 1129 CG GLN A 71 -0.699 -24.694 -4.459 1.00 0.00 C ATOM 1130 CD GLN A 71 -2.027 -24.011 -4.263 1.00 0.00 C ATOM 1131 OE1 GLN A 71 -2.281 -23.414 -3.228 1.00 0.00 O ATOM 1132 NE2 GLN A 71 -2.879 -24.083 -5.269 1.00 0.00 N ATOM 0 H GLN A 71 2.377 -23.441 -7.061 1.00 0.00 H new ATOM 0 HA GLN A 71 2.097 -24.796 -4.466 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.503 -22.930 -4.493 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -0.091 -23.425 -6.066 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -0.841 -25.590 -5.063 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -0.315 -25.018 -3.492 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -2.626 -24.592 -6.116 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.790 -23.629 -5.199 1.00 0.00 H new ATOM 1141 N ARG A 72 1.645 -26.885 -5.689 1.00 0.00 N ATOM 1142 CA ARG A 72 1.424 -28.147 -6.372 1.00 0.00 C ATOM 1143 C ARG A 72 0.642 -29.083 -5.452 1.00 0.00 C ATOM 1144 O ARG A 72 1.227 -29.902 -4.745 1.00 0.00 O ATOM 1145 CB ARG A 72 2.759 -28.794 -6.787 1.00 0.00 C ATOM 1146 CG ARG A 72 3.673 -27.872 -7.588 1.00 0.00 C ATOM 1147 CD ARG A 72 4.959 -28.569 -8.004 1.00 0.00 C ATOM 1148 NE ARG A 72 4.740 -29.553 -9.067 1.00 0.00 N ATOM 1149 CZ ARG A 72 5.591 -30.544 -9.373 1.00 0.00 C ATOM 1150 NH1 ARG A 72 6.702 -30.721 -8.665 1.00 0.00 N1+ ATOM 1151 NH2 ARG A 72 5.324 -31.359 -10.387 1.00 0.00 N ATOM 0 H ARG A 72 1.990 -26.982 -4.734 1.00 0.00 H new ATOM 0 HA ARG A 72 0.851 -27.962 -7.280 1.00 0.00 H new ATOM 0 HB2 ARG A 72 3.286 -29.122 -5.891 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.550 -29.685 -7.379 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.147 -27.521 -8.476 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.914 -26.992 -6.992 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.679 -27.825 -8.344 1.00 0.00 H new ATOM 0 HD3 ARG A 72 5.397 -29.065 -7.138 1.00 0.00 H new ATOM 0 HE ARG A 72 3.881 -29.480 -9.612 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.912 -30.101 -7.883 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.344 -31.477 -8.904 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.472 -31.231 -10.933 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.971 -32.112 -10.620 1.00 0.00 H new ATOM 1165 N PRO A 73 -0.694 -28.944 -5.423 1.00 0.00 N ATOM 1166 CA PRO A 73 -1.558 -29.731 -4.548 1.00 0.00 C ATOM 1167 C PRO A 73 -1.788 -31.139 -5.067 1.00 0.00 C ATOM 1168 O PRO A 73 -1.647 -31.404 -6.264 1.00 0.00 O ATOM 1169 CB PRO A 73 -2.883 -28.946 -4.535 1.00 0.00 C ATOM 1170 CG PRO A 73 -2.625 -27.702 -5.331 1.00 0.00 C ATOM 1171 CD PRO A 73 -1.471 -28.013 -6.230 1.00 0.00 C ATOM 0 HA PRO A 73 -1.114 -29.859 -3.561 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -3.690 -29.532 -4.975 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -3.184 -28.703 -3.516 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.505 -27.421 -5.910 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -2.393 -26.862 -4.676 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -1.796 -28.461 -7.169 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.900 -27.120 -6.484 1.00 0.00 H new ATOM 1179 N TRP A 74 -2.158 -32.033 -4.171 1.00 0.00 N ATOM 1180 CA TRP A 74 -2.380 -33.428 -4.518 1.00 0.00 C ATOM 1181 C TRP A 74 -3.818 -33.667 -4.963 1.00 0.00 C ATOM 1182 O TRP A 74 -4.066 -34.305 -5.983 1.00 0.00 O ATOM 1183 CB TRP A 74 -2.063 -34.328 -3.320 1.00 0.00 C ATOM 1184 CG TRP A 74 -0.636 -34.272 -2.874 1.00 0.00 C ATOM 1185 CD1 TRP A 74 0.377 -35.087 -3.282 1.00 0.00 C ATOM 1186 CD2 TRP A 74 -0.061 -33.360 -1.925 1.00 0.00 C ATOM 1187 NE1 TRP A 74 1.543 -34.738 -2.655 1.00 0.00 N ATOM 1188 CE2 TRP A 74 1.303 -33.682 -1.816 1.00 0.00 C ATOM 1189 CE3 TRP A 74 -0.569 -32.304 -1.163 1.00 0.00 C ATOM 1190 CZ2 TRP A 74 2.166 -32.987 -0.973 1.00 0.00 C ATOM 1191 CZ3 TRP A 74 0.291 -31.614 -0.328 1.00 0.00 C ATOM 1192 CH2 TRP A 74 1.644 -31.959 -0.240 1.00 0.00 C ATOM 0 H TRP A 74 -2.313 -31.817 -3.186 1.00 0.00 H new ATOM 0 HA TRP A 74 -1.716 -33.672 -5.347 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -2.704 -34.044 -2.486 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.312 -35.358 -3.577 1.00 0.00 H new ATOM 0 HD1 TRP A 74 0.275 -35.891 -3.996 1.00 0.00 H new ATOM 0 HE1 TRP A 74 2.446 -35.192 -2.791 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -1.612 -32.032 -1.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 3.211 -33.251 -0.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -0.088 -30.795 0.266 1.00 0.00 H new ATOM 0 HH2 TRP A 74 2.290 -31.401 0.422 1.00 0.00 H new ATOM 1203 N ARG A 75 -4.759 -33.141 -4.202 1.00 0.00 N ATOM 1204 CA ARG A 75 -6.173 -33.368 -4.479 1.00 0.00 C ATOM 1205 C ARG A 75 -6.914 -32.063 -4.750 1.00 0.00 C ATOM 1206 O ARG A 75 -8.145 -32.031 -4.781 1.00 0.00 O ATOM 1207 CB ARG A 75 -6.819 -34.114 -3.306 1.00 0.00 C ATOM 1208 CG ARG A 75 -6.685 -33.391 -1.973 1.00 0.00 C ATOM 1209 CD ARG A 75 -7.301 -34.185 -0.836 1.00 0.00 C ATOM 1210 NE ARG A 75 -6.602 -35.444 -0.589 1.00 0.00 N ATOM 1211 CZ ARG A 75 -7.062 -36.408 0.211 1.00 0.00 C ATOM 1212 NH1 ARG A 75 -8.241 -36.273 0.813 1.00 0.00 N1+ ATOM 1213 NH2 ARG A 75 -6.349 -37.505 0.400 1.00 0.00 N ATOM 0 H ARG A 75 -4.575 -32.554 -3.388 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.245 -33.976 -5.380 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.876 -34.266 -3.522 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -6.365 -35.102 -3.221 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.631 -33.211 -1.761 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.168 -32.416 -2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.289 -33.582 0.072 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.346 -34.393 -1.067 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.708 -35.595 -1.056 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -8.796 -35.431 0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.589 -37.012 1.424 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.448 -37.614 -0.065 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.700 -38.242 1.011 1.00 0.00 H new ATOM 1227 N LYS A 76 -6.171 -31.002 -4.963 1.00 0.00 N ATOM 1228 CA LYS A 76 -6.758 -29.697 -5.225 1.00 0.00 C ATOM 1229 C LYS A 76 -6.288 -29.164 -6.563 1.00 0.00 C ATOM 1230 O LYS A 76 -5.071 -29.126 -6.787 1.00 0.00 O ATOM 1231 CB LYS A 76 -6.424 -28.708 -4.100 1.00 0.00 C ATOM 1232 CG LYS A 76 -7.068 -29.054 -2.764 1.00 0.00 C ATOM 1233 CD LYS A 76 -8.583 -28.938 -2.835 1.00 0.00 C ATOM 1234 CE LYS A 76 -9.245 -29.429 -1.558 1.00 0.00 C ATOM 1235 NZ LYS A 76 -8.797 -28.670 -0.363 1.00 0.00 N1+ ATOM 1236 OXT LYS A 76 -7.140 -28.780 -7.389 1.00 0.00 O ATOM 0 H LYS A 76 -5.151 -31.012 -4.961 1.00 0.00 H new ATOM 0 HA LYS A 76 -7.841 -29.812 -5.260 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -5.342 -28.670 -3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.745 -27.710 -4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -6.792 -30.068 -2.476 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -6.686 -28.388 -1.990 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -8.860 -27.899 -3.012 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.953 -29.516 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.327 -29.342 -1.656 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.021 -30.487 -1.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.348 -28.971 0.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.788 -28.854 -0.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.941 -27.653 -0.524 1.00 0.00 H new TER 1250 LYS A 76