USER MOD reduce.3.24.130724 H: found=0, std=0, add=432, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 431 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 NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Single : A 1 SER N :NH3+ 179:sc= -0.084 (180deg=-0.0902) USER MOD Single : A 1 SER OG : rot -37:sc= 0.531 USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 3 MET CE :methyl 166:sc= -0.27 (180deg=-0.624) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= 0 F(o=-0.56,f=0) USER MOD Single : A 21 GLN : amide:sc= 0.44 K(o=0.44,f=-0.48) USER MOD Single : A 25 SER OG : rot 41:sc= 1.13 USER MOD Single : A 27 ASN : amide:sc= -0.264 K(o=-0.26,f=-4.1!) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.12 F(o=-3.6!,f=-1.1) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.295 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.012) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 3.497 -2.691 3.893 1.00 0.00 N ATOM 2 CA SER A 1 4.279 -3.948 3.973 1.00 0.00 C ATOM 3 C SER A 1 4.763 -4.409 2.569 1.00 0.00 C ATOM 4 O SER A 1 5.304 -5.517 2.425 1.00 0.00 O ATOM 5 CB SER A 1 3.411 -5.033 4.659 1.00 0.00 C ATOM 6 OG SER A 1 4.124 -6.248 4.849 1.00 0.00 O ATOM 0 H1 SER A 1 3.175 -2.421 4.844 1.00 0.00 H new ATOM 0 H2 SER A 1 4.094 -1.935 3.502 1.00 0.00 H new ATOM 0 H3 SER A 1 2.672 -2.834 3.276 1.00 0.00 H new ATOM 0 HA SER A 1 5.176 -3.776 4.567 1.00 0.00 H new ATOM 0 HB2 SER A 1 3.064 -4.662 5.624 1.00 0.00 H new ATOM 0 HB3 SER A 1 2.525 -5.224 4.053 1.00 0.00 H new ATOM 0 HG SER A 1 4.717 -6.402 4.084 1.00 0.00 H new ATOM 14 N HIS A 2 4.596 -3.549 1.543 1.00 0.00 N ATOM 15 CA HIS A 2 4.954 -3.883 0.141 1.00 0.00 C ATOM 16 C HIS A 2 5.306 -2.609 -0.653 1.00 0.00 C ATOM 17 O HIS A 2 4.956 -1.495 -0.245 1.00 0.00 O ATOM 18 CB HIS A 2 3.793 -4.647 -0.558 1.00 0.00 C ATOM 19 CG HIS A 2 2.533 -3.835 -0.739 1.00 0.00 C ATOM 20 ND1 HIS A 2 2.117 -3.317 -1.946 1.00 0.00 N ATOM 21 CD2 HIS A 2 1.609 -3.434 0.171 1.00 0.00 C ATOM 22 CE1 HIS A 2 0.988 -2.631 -1.734 1.00 0.00 C ATOM 23 NE2 HIS A 2 0.638 -2.673 -0.467 1.00 0.00 N ATOM 0 H HIS A 2 4.213 -2.611 1.657 1.00 0.00 H new ATOM 0 HA HIS A 2 5.831 -4.530 0.164 1.00 0.00 H new ATOM 0 HB2 HIS A 2 4.135 -4.988 -1.535 1.00 0.00 H new ATOM 0 HB3 HIS A 2 3.557 -5.537 0.025 1.00 0.00 H new ATOM 0 HD2 HIS A 2 1.626 -3.670 1.225 1.00 0.00 H new ATOM 0 HE1 HIS A 2 0.436 -2.111 -2.503 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -0.179 -2.236 -0.040 1.00 0.00 H new ATOM 31 N MET A 3 6.001 -2.812 -1.790 1.00 0.00 N ATOM 32 CA MET A 3 6.377 -1.749 -2.742 1.00 0.00 C ATOM 33 C MET A 3 6.880 -2.395 -4.056 1.00 0.00 C ATOM 34 O MET A 3 7.308 -3.551 -4.069 1.00 0.00 O ATOM 35 CB MET A 3 7.472 -0.815 -2.134 1.00 0.00 C ATOM 36 CG MET A 3 7.772 0.460 -2.942 1.00 0.00 C ATOM 37 SD MET A 3 9.167 1.397 -2.280 1.00 0.00 S ATOM 38 CE MET A 3 10.522 0.257 -2.550 1.00 0.00 C ATOM 0 H MET A 3 6.322 -3.736 -2.077 1.00 0.00 H new ATOM 0 HA MET A 3 5.501 -1.136 -2.953 1.00 0.00 H new ATOM 0 HB2 MET A 3 7.162 -0.525 -1.130 1.00 0.00 H new ATOM 0 HB3 MET A 3 8.395 -1.385 -2.030 1.00 0.00 H new ATOM 0 HG2 MET A 3 7.981 0.188 -3.977 1.00 0.00 H new ATOM 0 HG3 MET A 3 6.886 1.095 -2.952 1.00 0.00 H new ATOM 0 HE1 MET A 3 11.469 0.782 -2.426 1.00 0.00 H new ATOM 0 HE2 MET A 3 10.461 -0.558 -1.829 1.00 0.00 H new ATOM 0 HE3 MET A 3 10.461 -0.148 -3.560 1.00 0.00 H new ATOM 48 N CYS A 4 6.811 -1.636 -5.155 1.00 0.00 N ATOM 49 CA CYS A 4 7.288 -2.064 -6.481 1.00 0.00 C ATOM 50 C CYS A 4 8.460 -1.146 -6.913 1.00 0.00 C ATOM 51 O CYS A 4 8.219 -0.078 -7.504 1.00 0.00 O ATOM 52 CB CYS A 4 6.100 -2.037 -7.472 1.00 0.00 C ATOM 53 SG CYS A 4 6.526 -2.201 -9.217 1.00 0.00 S ATOM 0 H CYS A 4 6.418 -0.695 -5.152 1.00 0.00 H new ATOM 0 HA CYS A 4 7.669 -3.085 -6.460 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.414 -2.842 -7.208 1.00 0.00 H new ATOM 0 HB3 CYS A 4 5.560 -1.100 -7.336 1.00 0.00 H new ATOM 58 N PRO A 5 9.750 -1.539 -6.583 1.00 0.00 N ATOM 59 CA PRO A 5 10.941 -0.663 -6.729 1.00 0.00 C ATOM 60 C PRO A 5 11.439 -0.561 -8.190 1.00 0.00 C ATOM 61 O PRO A 5 12.208 -1.415 -8.653 1.00 0.00 O ATOM 62 CB PRO A 5 12.012 -1.334 -5.794 1.00 0.00 C ATOM 63 CG PRO A 5 11.321 -2.511 -5.148 1.00 0.00 C ATOM 64 CD PRO A 5 10.161 -2.865 -6.050 1.00 0.00 C ATOM 0 HA PRO A 5 10.722 0.369 -6.456 1.00 0.00 H new ATOM 0 HB2 PRO A 5 12.881 -1.658 -6.366 1.00 0.00 H new ATOM 0 HB3 PRO A 5 12.369 -0.630 -5.042 1.00 0.00 H new ATOM 0 HG2 PRO A 5 12.004 -3.354 -5.043 1.00 0.00 H new ATOM 0 HG3 PRO A 5 10.972 -2.257 -4.147 1.00 0.00 H new ATOM 0 HD2 PRO A 5 10.460 -3.547 -6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 5 9.354 -3.350 -5.501 1.00 0.00 H new ATOM 72 N ALA A 6 10.979 0.483 -8.909 1.00 0.00 N ATOM 73 CA ALA A 6 11.384 0.753 -10.299 1.00 0.00 C ATOM 74 C ALA A 6 11.138 2.231 -10.651 1.00 0.00 C ATOM 75 O ALA A 6 9.978 2.637 -10.800 1.00 0.00 O ATOM 76 CB ALA A 6 10.625 -0.146 -11.275 1.00 0.00 C ATOM 0 H ALA A 6 10.315 1.163 -8.539 1.00 0.00 H new ATOM 0 HA ALA A 6 12.449 0.537 -10.387 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.943 0.074 -12.294 1.00 0.00 H new ATOM 0 HB2 ALA A 6 10.836 -1.191 -11.046 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.555 0.037 -11.181 1.00 0.00 H new ATOM 82 N VAL A 7 12.245 3.002 -10.760 1.00 0.00 N ATOM 83 CA VAL A 7 12.276 4.411 -11.204 1.00 0.00 C ATOM 84 C VAL A 7 11.435 5.335 -10.274 1.00 0.00 C ATOM 85 O VAL A 7 11.988 6.043 -9.426 1.00 0.00 O ATOM 86 CB VAL A 7 11.840 4.560 -12.721 1.00 0.00 C ATOM 87 CG1 VAL A 7 11.876 6.037 -13.195 1.00 0.00 C ATOM 88 CG2 VAL A 7 12.705 3.650 -13.641 1.00 0.00 C ATOM 0 H VAL A 7 13.173 2.645 -10.533 1.00 0.00 H new ATOM 0 HA VAL A 7 13.312 4.741 -11.131 1.00 0.00 H new ATOM 0 HB VAL A 7 10.804 4.229 -12.794 1.00 0.00 H new ATOM 0 HG11 VAL A 7 11.570 6.091 -14.240 1.00 0.00 H new ATOM 0 HG12 VAL A 7 11.195 6.631 -12.586 1.00 0.00 H new ATOM 0 HG13 VAL A 7 12.889 6.427 -13.093 1.00 0.00 H new ATOM 0 HG21 VAL A 7 12.386 3.771 -14.676 1.00 0.00 H new ATOM 0 HG22 VAL A 7 13.754 3.932 -13.549 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.582 2.609 -13.343 1.00 0.00 H new ATOM 98 N SER A 8 10.108 5.273 -10.432 1.00 0.00 N ATOM 99 CA SER A 8 9.143 6.096 -9.666 1.00 0.00 C ATOM 100 C SER A 8 7.832 5.310 -9.412 1.00 0.00 C ATOM 101 O SER A 8 7.121 5.578 -8.430 1.00 0.00 O ATOM 102 CB SER A 8 8.842 7.404 -10.434 1.00 0.00 C ATOM 103 OG SER A 8 7.983 8.259 -9.700 1.00 0.00 O ATOM 0 H SER A 8 9.661 4.646 -11.101 1.00 0.00 H new ATOM 0 HA SER A 8 9.585 6.342 -8.701 1.00 0.00 H new ATOM 0 HB2 SER A 8 9.776 7.923 -10.647 1.00 0.00 H new ATOM 0 HB3 SER A 8 8.384 7.165 -11.394 1.00 0.00 H new ATOM 0 HG SER A 8 7.816 9.076 -10.215 1.00 0.00 H new ATOM 109 N CYS A 9 7.535 4.357 -10.319 1.00 0.00 N ATOM 110 CA CYS A 9 6.314 3.523 -10.297 1.00 0.00 C ATOM 111 C CYS A 9 5.059 4.395 -10.532 1.00 0.00 C ATOM 112 O CYS A 9 4.385 4.801 -9.585 1.00 0.00 O ATOM 113 CB CYS A 9 6.195 2.677 -8.992 1.00 0.00 C ATOM 114 SG CYS A 9 4.993 1.323 -9.122 1.00 0.00 S ATOM 0 H CYS A 9 8.150 4.141 -11.104 1.00 0.00 H new ATOM 0 HA CYS A 9 6.390 2.807 -11.116 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.173 2.263 -8.745 1.00 0.00 H new ATOM 0 HB3 CYS A 9 5.908 3.331 -8.168 1.00 0.00 H new ATOM 119 N LEU A 10 4.790 4.703 -11.817 1.00 0.00 N ATOM 120 CA LEU A 10 3.673 5.586 -12.234 1.00 0.00 C ATOM 121 C LEU A 10 2.297 4.957 -11.910 1.00 0.00 C ATOM 122 O LEU A 10 1.342 5.667 -11.577 1.00 0.00 O ATOM 123 CB LEU A 10 3.796 5.870 -13.753 1.00 0.00 C ATOM 124 CG LEU A 10 5.160 6.478 -14.227 1.00 0.00 C ATOM 125 CD1 LEU A 10 5.213 6.601 -15.764 1.00 0.00 C ATOM 126 CD2 LEU A 10 5.448 7.840 -13.544 1.00 0.00 C ATOM 0 H LEU A 10 5.340 4.348 -12.599 1.00 0.00 H new ATOM 0 HA LEU A 10 3.738 6.520 -11.676 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.629 4.937 -14.292 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.996 6.552 -14.041 1.00 0.00 H new ATOM 0 HG LEU A 10 5.947 5.789 -13.921 1.00 0.00 H new ATOM 0 HD11 LEU A 10 6.171 7.026 -16.062 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.099 5.614 -16.212 1.00 0.00 H new ATOM 0 HD13 LEU A 10 4.406 7.250 -16.105 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.402 8.230 -13.898 1.00 0.00 H new ATOM 0 HD22 LEU A 10 4.654 8.545 -13.790 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.490 7.703 -12.463 1.00 0.00 H new ATOM 138 N GLN A 11 2.245 3.612 -12.007 1.00 0.00 N ATOM 139 CA GLN A 11 1.039 2.794 -11.759 1.00 0.00 C ATOM 140 C GLN A 11 -0.119 3.145 -12.732 1.00 0.00 C ATOM 141 O GLN A 11 -1.072 3.826 -12.345 1.00 0.00 O ATOM 142 CB GLN A 11 0.583 2.863 -10.263 1.00 0.00 C ATOM 143 CG GLN A 11 1.631 2.352 -9.251 1.00 0.00 C ATOM 144 CD GLN A 11 1.155 2.340 -7.788 1.00 0.00 C ATOM 145 OE1 GLN A 11 -0.130 2.062 -7.557 1.00 0.00 O flip ATOM 146 NE2 GLN A 11 1.946 2.538 -6.871 1.00 0.00 N flip ATOM 0 H GLN A 11 3.058 3.052 -12.265 1.00 0.00 H new ATOM 0 HA GLN A 11 1.317 1.760 -11.961 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.334 3.896 -10.019 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.330 2.279 -10.147 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.925 1.341 -9.532 1.00 0.00 H new ATOM 0 HG3 GLN A 11 2.522 2.975 -9.324 1.00 0.00 H new ATOM 0 HE21 GLN A 11 2.923 2.749 -7.076 1.00 0.00 H new ATOM 0 HE22 GLN A 11 1.627 2.492 -5.903 1.00 0.00 H new ATOM 155 N PRO A 12 -0.024 2.721 -14.037 1.00 0.00 N ATOM 156 CA PRO A 12 -1.145 2.850 -14.992 1.00 0.00 C ATOM 157 C PRO A 12 -2.287 1.853 -14.659 1.00 0.00 C ATOM 158 O PRO A 12 -2.061 0.636 -14.569 1.00 0.00 O ATOM 159 CB PRO A 12 -0.486 2.544 -16.363 1.00 0.00 C ATOM 160 CG PRO A 12 0.664 1.651 -16.029 1.00 0.00 C ATOM 161 CD PRO A 12 1.175 2.131 -14.688 1.00 0.00 C ATOM 0 HA PRO A 12 -1.619 3.831 -14.968 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -1.186 2.055 -17.040 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -0.151 3.457 -16.856 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.349 0.609 -15.978 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.442 1.712 -16.790 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.585 1.310 -14.100 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.970 2.868 -14.804 1.00 0.00 H new ATOM 169 N GLU A 13 -3.492 2.396 -14.444 1.00 0.00 N ATOM 170 CA GLU A 13 -4.697 1.605 -14.142 1.00 0.00 C ATOM 171 C GLU A 13 -5.191 0.884 -15.421 1.00 0.00 C ATOM 172 O GLU A 13 -5.933 1.446 -16.235 1.00 0.00 O ATOM 173 CB GLU A 13 -5.794 2.513 -13.503 1.00 0.00 C ATOM 174 CG GLU A 13 -6.014 3.868 -14.216 1.00 0.00 C ATOM 175 CD GLU A 13 -7.097 4.737 -13.562 1.00 0.00 C ATOM 176 OE1 GLU A 13 -6.835 5.314 -12.484 1.00 0.00 O ATOM 177 OE2 GLU A 13 -8.212 4.831 -14.110 1.00 0.00 O ATOM 0 H GLU A 13 -3.662 3.401 -14.474 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.457 0.834 -13.409 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.737 1.967 -13.494 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.526 2.705 -12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -5.074 4.420 -14.227 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.287 3.682 -15.255 1.00 0.00 H new ATOM 184 N GLY A 14 -4.694 -0.343 -15.609 1.00 0.00 N ATOM 185 CA GLY A 14 -5.010 -1.156 -16.781 1.00 0.00 C ATOM 186 C GLY A 14 -4.081 -2.353 -16.880 1.00 0.00 C ATOM 187 O GLY A 14 -2.856 -2.183 -16.921 1.00 0.00 O ATOM 0 H GLY A 14 -4.061 -0.798 -14.951 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -6.044 -1.497 -16.723 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -4.925 -0.549 -17.683 1.00 0.00 H new ATOM 191 N ASP A 15 -4.662 -3.564 -16.924 1.00 0.00 N ATOM 192 CA ASP A 15 -3.907 -4.840 -16.984 1.00 0.00 C ATOM 193 C ASP A 15 -3.371 -5.137 -18.399 1.00 0.00 C ATOM 194 O ASP A 15 -2.670 -6.138 -18.600 1.00 0.00 O ATOM 195 CB ASP A 15 -4.795 -6.014 -16.494 1.00 0.00 C ATOM 196 CG ASP A 15 -5.195 -5.888 -15.015 1.00 0.00 C ATOM 197 OD1 ASP A 15 -4.439 -6.359 -14.132 1.00 0.00 O ATOM 198 OD2 ASP A 15 -6.263 -5.308 -14.724 1.00 0.00 O ATOM 0 H ASP A 15 -5.674 -3.692 -16.919 1.00 0.00 H new ATOM 0 HA ASP A 15 -3.045 -4.735 -16.325 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -5.696 -6.061 -17.106 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.261 -6.953 -16.641 1.00 0.00 H new ATOM 203 N GLU A 16 -3.699 -4.253 -19.358 1.00 0.00 N ATOM 204 CA GLU A 16 -3.188 -4.308 -20.744 1.00 0.00 C ATOM 205 C GLU A 16 -1.656 -4.101 -20.807 1.00 0.00 C ATOM 206 O GLU A 16 -1.024 -4.417 -21.821 1.00 0.00 O ATOM 207 CB GLU A 16 -3.918 -3.236 -21.608 1.00 0.00 C ATOM 208 CG GLU A 16 -3.817 -1.794 -21.067 1.00 0.00 C ATOM 209 CD GLU A 16 -4.451 -0.750 -22.005 1.00 0.00 C ATOM 210 OE1 GLU A 16 -5.660 -0.459 -21.872 1.00 0.00 O ATOM 211 OE2 GLU A 16 -3.741 -0.229 -22.896 1.00 0.00 O ATOM 0 H GLU A 16 -4.333 -3.471 -19.193 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.392 -5.303 -21.141 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.507 -3.261 -22.617 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.971 -3.507 -21.686 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.305 -1.743 -20.094 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -2.768 -1.544 -20.911 1.00 0.00 H new ATOM 218 N VAL A 17 -1.075 -3.537 -19.727 1.00 0.00 N ATOM 219 CA VAL A 17 0.377 -3.321 -19.629 1.00 0.00 C ATOM 220 C VAL A 17 1.095 -4.656 -19.358 1.00 0.00 C ATOM 221 O VAL A 17 0.735 -5.395 -18.433 1.00 0.00 O ATOM 222 CB VAL A 17 0.743 -2.295 -18.495 1.00 0.00 C ATOM 223 CG1 VAL A 17 2.247 -1.931 -18.524 1.00 0.00 C ATOM 224 CG2 VAL A 17 -0.136 -1.034 -18.602 1.00 0.00 C ATOM 0 H VAL A 17 -1.596 -3.223 -18.908 1.00 0.00 H new ATOM 0 HA VAL A 17 0.707 -2.907 -20.582 1.00 0.00 H new ATOM 0 HB VAL A 17 0.543 -2.771 -17.535 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.465 -1.220 -17.727 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.842 -2.832 -18.379 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.495 -1.484 -19.487 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.132 -0.336 -17.809 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.023 -0.561 -19.571 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -1.185 -1.312 -18.502 1.00 0.00 H new ATOM 234 N ASP A 18 2.100 -4.946 -20.189 1.00 0.00 N ATOM 235 CA ASP A 18 2.945 -6.153 -20.049 1.00 0.00 C ATOM 236 C ASP A 18 3.994 -5.919 -18.953 1.00 0.00 C ATOM 237 O ASP A 18 4.470 -4.783 -18.763 1.00 0.00 O ATOM 238 CB ASP A 18 3.636 -6.514 -21.393 1.00 0.00 C ATOM 239 CG ASP A 18 2.639 -6.857 -22.523 1.00 0.00 C ATOM 240 OD1 ASP A 18 2.118 -5.924 -23.169 1.00 0.00 O ATOM 241 OD2 ASP A 18 2.389 -8.055 -22.788 1.00 0.00 O ATOM 0 H ASP A 18 2.357 -4.356 -20.980 1.00 0.00 H new ATOM 0 HA ASP A 18 2.309 -6.993 -19.769 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.258 -5.677 -21.709 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.301 -7.363 -21.235 1.00 0.00 H new ATOM 246 N TRP A 19 4.331 -6.994 -18.226 1.00 0.00 N ATOM 247 CA TRP A 19 5.223 -6.931 -17.062 1.00 0.00 C ATOM 248 C TRP A 19 6.507 -7.740 -17.309 1.00 0.00 C ATOM 249 O TRP A 19 6.443 -8.920 -17.654 1.00 0.00 O ATOM 250 CB TRP A 19 4.499 -7.461 -15.794 1.00 0.00 C ATOM 251 CG TRP A 19 3.182 -6.776 -15.472 1.00 0.00 C ATOM 252 CD1 TRP A 19 2.860 -5.455 -15.651 1.00 0.00 C ATOM 253 CD2 TRP A 19 2.020 -7.389 -14.888 1.00 0.00 C ATOM 254 NE1 TRP A 19 1.571 -5.222 -15.244 1.00 0.00 N ATOM 255 CE2 TRP A 19 1.038 -6.389 -14.765 1.00 0.00 C ATOM 256 CE3 TRP A 19 1.718 -8.689 -14.462 1.00 0.00 C ATOM 257 CZ2 TRP A 19 -0.229 -6.649 -14.243 1.00 0.00 C ATOM 258 CZ3 TRP A 19 0.461 -8.943 -13.940 1.00 0.00 C ATOM 259 CH2 TRP A 19 -0.497 -7.927 -13.833 1.00 0.00 C ATOM 0 H TRP A 19 3.991 -7.934 -18.430 1.00 0.00 H new ATOM 0 HA TRP A 19 5.497 -5.888 -16.905 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.315 -8.528 -15.919 1.00 0.00 H new ATOM 0 HB3 TRP A 19 5.167 -7.350 -14.940 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.525 -4.706 -16.054 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.088 -4.325 -15.291 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.452 -9.478 -14.539 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 -0.972 -5.869 -14.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 0.215 -9.941 -13.610 1.00 0.00 H new ATOM 0 HH2 TRP A 19 -1.467 -8.157 -13.418 1.00 0.00 H new ATOM 270 N VAL A 20 7.659 -7.072 -17.155 1.00 0.00 N ATOM 271 CA VAL A 20 8.982 -7.702 -17.132 1.00 0.00 C ATOM 272 C VAL A 20 9.444 -7.861 -15.665 1.00 0.00 C ATOM 273 O VAL A 20 9.503 -6.891 -14.902 1.00 0.00 O ATOM 274 CB VAL A 20 10.022 -6.872 -17.977 1.00 0.00 C ATOM 275 CG1 VAL A 20 10.180 -5.400 -17.498 1.00 0.00 C ATOM 276 CG2 VAL A 20 11.379 -7.605 -18.067 1.00 0.00 C ATOM 0 H VAL A 20 7.695 -6.059 -17.041 1.00 0.00 H new ATOM 0 HA VAL A 20 8.917 -8.689 -17.591 1.00 0.00 H new ATOM 0 HB VAL A 20 9.612 -6.801 -18.984 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.911 -4.890 -18.125 1.00 0.00 H new ATOM 0 HG12 VAL A 20 9.220 -4.889 -17.571 1.00 0.00 H new ATOM 0 HG13 VAL A 20 10.520 -5.389 -16.462 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.076 -7.009 -18.656 1.00 0.00 H new ATOM 0 HG22 VAL A 20 11.782 -7.749 -17.064 1.00 0.00 H new ATOM 0 HG23 VAL A 20 11.238 -8.575 -18.544 1.00 0.00 H new ATOM 286 N GLN A 21 9.720 -9.102 -15.271 1.00 0.00 N ATOM 287 CA GLN A 21 10.125 -9.454 -13.902 1.00 0.00 C ATOM 288 C GLN A 21 11.641 -9.264 -13.737 1.00 0.00 C ATOM 289 O GLN A 21 12.380 -9.295 -14.724 1.00 0.00 O ATOM 290 CB GLN A 21 9.722 -10.931 -13.619 1.00 0.00 C ATOM 291 CG GLN A 21 9.788 -11.376 -12.144 1.00 0.00 C ATOM 292 CD GLN A 21 9.534 -12.881 -11.950 1.00 0.00 C ATOM 293 OE1 GLN A 21 9.906 -13.707 -12.784 1.00 0.00 O ATOM 294 NE2 GLN A 21 8.864 -13.238 -10.859 1.00 0.00 N ATOM 0 H GLN A 21 9.670 -9.905 -15.897 1.00 0.00 H new ATOM 0 HA GLN A 21 9.622 -8.802 -13.188 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.705 -11.085 -13.980 1.00 0.00 H new ATOM 0 HB3 GLN A 21 10.370 -11.583 -14.204 1.00 0.00 H new ATOM 0 HG2 GLN A 21 10.769 -11.125 -11.740 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.053 -10.813 -11.569 1.00 0.00 H new ATOM 0 HE21 GLN A 21 8.570 -12.530 -10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 21 8.644 -14.220 -10.694 1.00 0.00 H new ATOM 303 N CYS A 22 12.096 -8.998 -12.501 1.00 0.00 N ATOM 304 CA CYS A 22 13.529 -9.114 -12.155 1.00 0.00 C ATOM 305 C CYS A 22 13.740 -10.407 -11.368 1.00 0.00 C ATOM 306 O CYS A 22 13.936 -10.369 -10.159 1.00 0.00 O ATOM 307 CB CYS A 22 14.054 -7.894 -11.355 1.00 0.00 C ATOM 308 SG CYS A 22 15.875 -7.909 -11.087 1.00 0.00 S ATOM 0 H CYS A 22 11.500 -8.703 -11.728 1.00 0.00 H new ATOM 0 HA CYS A 22 14.102 -9.136 -13.082 1.00 0.00 H new ATOM 0 HB2 CYS A 22 13.781 -6.980 -11.883 1.00 0.00 H new ATOM 0 HB3 CYS A 22 13.554 -7.864 -10.387 1.00 0.00 H new ATOM 313 N ASP A 23 13.668 -11.551 -12.070 1.00 0.00 N ATOM 314 CA ASP A 23 13.853 -12.905 -11.476 1.00 0.00 C ATOM 315 C ASP A 23 15.177 -13.000 -10.691 1.00 0.00 C ATOM 316 O ASP A 23 15.271 -13.723 -9.687 1.00 0.00 O ATOM 317 CB ASP A 23 13.788 -13.988 -12.585 1.00 0.00 C ATOM 318 CG ASP A 23 13.953 -15.429 -12.067 1.00 0.00 C ATOM 319 OD1 ASP A 23 13.040 -15.919 -11.372 1.00 0.00 O ATOM 320 OD2 ASP A 23 14.981 -16.084 -12.365 1.00 0.00 O ATOM 0 H ASP A 23 13.479 -11.572 -13.072 1.00 0.00 H new ATOM 0 HA ASP A 23 13.042 -13.079 -10.768 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.832 -13.906 -13.102 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.566 -13.786 -13.321 1.00 0.00 H new ATOM 325 N GLY A 24 16.181 -12.235 -11.150 1.00 0.00 N ATOM 326 CA GLY A 24 17.376 -11.981 -10.362 1.00 0.00 C ATOM 327 C GLY A 24 17.061 -11.187 -9.088 1.00 0.00 C ATOM 328 O GLY A 24 16.886 -9.971 -9.164 1.00 0.00 O ATOM 0 H GLY A 24 16.179 -11.786 -12.066 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.842 -12.929 -10.093 1.00 0.00 H new ATOM 0 HA3 GLY A 24 18.098 -11.430 -10.964 1.00 0.00 H new ATOM 332 N SER A 25 16.820 -11.920 -7.977 1.00 0.00 N ATOM 333 CA SER A 25 16.811 -11.410 -6.577 1.00 0.00 C ATOM 334 C SER A 25 15.931 -10.154 -6.378 1.00 0.00 C ATOM 335 O SER A 25 16.378 -9.111 -5.893 1.00 0.00 O ATOM 336 CB SER A 25 18.264 -11.242 -6.028 1.00 0.00 C ATOM 337 OG SER A 25 19.056 -10.372 -6.814 1.00 0.00 O ATOM 0 H SER A 25 16.619 -12.919 -8.027 1.00 0.00 H new ATOM 0 HA SER A 25 16.326 -12.174 -5.969 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.219 -10.861 -5.008 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.744 -12.219 -5.982 1.00 0.00 H new ATOM 0 HG SER A 25 18.520 -9.597 -7.085 1.00 0.00 H new ATOM 343 N CYS A 26 14.672 -10.300 -6.798 1.00 0.00 N ATOM 344 CA CYS A 26 13.611 -9.283 -6.659 1.00 0.00 C ATOM 345 C CYS A 26 12.256 -9.986 -6.832 1.00 0.00 C ATOM 346 O CYS A 26 11.365 -9.898 -5.980 1.00 0.00 O ATOM 347 CB CYS A 26 13.761 -8.180 -7.738 1.00 0.00 C ATOM 348 SG CYS A 26 15.076 -6.954 -7.465 1.00 0.00 S ATOM 0 H CYS A 26 14.347 -11.151 -7.258 1.00 0.00 H new ATOM 0 HA CYS A 26 13.683 -8.811 -5.679 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.939 -8.664 -8.698 1.00 0.00 H new ATOM 0 HB3 CYS A 26 12.812 -7.650 -7.819 1.00 0.00 H new ATOM 353 N ASN A 27 12.126 -10.652 -7.999 1.00 0.00 N ATOM 354 CA ASN A 27 10.967 -11.479 -8.403 1.00 0.00 C ATOM 355 C ASN A 27 9.656 -10.665 -8.505 1.00 0.00 C ATOM 356 O ASN A 27 8.569 -11.233 -8.621 1.00 0.00 O ATOM 357 CB ASN A 27 10.814 -12.720 -7.479 1.00 0.00 C ATOM 358 CG ASN A 27 12.049 -13.636 -7.459 1.00 0.00 C ATOM 359 OD1 ASN A 27 13.183 -13.191 -7.656 1.00 0.00 O ATOM 360 ND2 ASN A 27 11.841 -14.923 -7.207 1.00 0.00 N ATOM 0 H ASN A 27 12.853 -10.628 -8.714 1.00 0.00 H new ATOM 0 HA ASN A 27 11.172 -11.840 -9.411 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.608 -12.382 -6.464 1.00 0.00 H new ATOM 0 HB3 ASN A 27 9.949 -13.299 -7.804 1.00 0.00 H new ATOM 0 HD21 ASN A 27 12.629 -15.570 -7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.893 -15.265 -7.048 1.00 0.00 H new ATOM 367 N GLN A 28 9.777 -9.326 -8.507 1.00 0.00 N ATOM 368 CA GLN A 28 8.641 -8.412 -8.681 1.00 0.00 C ATOM 369 C GLN A 28 8.382 -8.218 -10.185 1.00 0.00 C ATOM 370 O GLN A 28 9.337 -8.116 -10.972 1.00 0.00 O ATOM 371 CB GLN A 28 8.946 -7.050 -7.998 1.00 0.00 C ATOM 372 CG GLN A 28 9.317 -7.144 -6.503 1.00 0.00 C ATOM 373 CD GLN A 28 8.194 -7.707 -5.626 1.00 0.00 C ATOM 374 OE1 GLN A 28 7.357 -6.957 -5.120 1.00 0.00 O ATOM 375 NE2 GLN A 28 8.167 -9.023 -5.441 1.00 0.00 N ATOM 0 H GLN A 28 10.670 -8.848 -8.387 1.00 0.00 H new ATOM 0 HA GLN A 28 7.751 -8.834 -8.215 1.00 0.00 H new ATOM 0 HB2 GLN A 28 9.765 -6.567 -8.531 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.074 -6.404 -8.102 1.00 0.00 H new ATOM 0 HG2 GLN A 28 10.201 -7.773 -6.395 1.00 0.00 H new ATOM 0 HG3 GLN A 28 9.586 -6.152 -6.141 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.876 -9.614 -5.875 1.00 0.00 H new ATOM 0 HE22 GLN A 28 7.437 -9.442 -4.865 1.00 0.00 H new ATOM 384 N TRP A 29 7.100 -8.209 -10.569 1.00 0.00 N ATOM 385 CA TRP A 29 6.666 -8.000 -11.955 1.00 0.00 C ATOM 386 C TRP A 29 6.517 -6.490 -12.204 1.00 0.00 C ATOM 387 O TRP A 29 5.635 -5.831 -11.632 1.00 0.00 O ATOM 388 CB TRP A 29 5.343 -8.775 -12.217 1.00 0.00 C ATOM 389 CG TRP A 29 5.523 -10.278 -12.224 1.00 0.00 C ATOM 390 CD1 TRP A 29 5.938 -11.062 -11.183 1.00 0.00 C ATOM 391 CD2 TRP A 29 5.295 -11.174 -13.324 1.00 0.00 C ATOM 392 NE1 TRP A 29 5.993 -12.370 -11.569 1.00 0.00 N ATOM 393 CE2 TRP A 29 5.600 -12.469 -12.874 1.00 0.00 C ATOM 394 CE3 TRP A 29 4.857 -11.004 -14.641 1.00 0.00 C ATOM 395 CZ2 TRP A 29 5.494 -13.587 -13.693 1.00 0.00 C ATOM 396 CZ3 TRP A 29 4.755 -12.114 -15.459 1.00 0.00 C ATOM 397 CH2 TRP A 29 5.067 -13.394 -14.980 1.00 0.00 C ATOM 0 H TRP A 29 6.327 -8.348 -9.919 1.00 0.00 H new ATOM 0 HA TRP A 29 7.407 -8.388 -12.654 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.615 -8.506 -11.452 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.929 -8.461 -13.175 1.00 0.00 H new ATOM 0 HD1 TRP A 29 6.187 -10.698 -10.197 1.00 0.00 H new ATOM 0 HE1 TRP A 29 6.281 -13.149 -10.978 1.00 0.00 H new ATOM 0 HE3 TRP A 29 4.603 -10.022 -15.013 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 5.740 -14.573 -13.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 4.430 -11.993 -16.482 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.969 -14.244 -15.639 1.00 0.00 H new ATOM 408 N PHE A 30 7.425 -5.954 -13.027 1.00 0.00 N ATOM 409 CA PHE A 30 7.527 -4.508 -13.313 1.00 0.00 C ATOM 410 C PHE A 30 6.854 -4.192 -14.651 1.00 0.00 C ATOM 411 O PHE A 30 7.015 -4.916 -15.602 1.00 0.00 O ATOM 412 CB PHE A 30 9.005 -4.069 -13.364 1.00 0.00 C ATOM 413 CG PHE A 30 9.774 -4.302 -12.070 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.612 -3.443 -10.988 1.00 0.00 C ATOM 415 CD2 PHE A 30 10.668 -5.362 -11.939 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.322 -3.628 -9.819 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.376 -5.550 -10.766 1.00 0.00 C ATOM 418 CZ PHE A 30 11.202 -4.684 -9.706 1.00 0.00 C ATOM 0 H PHE A 30 8.120 -6.513 -13.522 1.00 0.00 H new ATOM 0 HA PHE A 30 7.024 -3.962 -12.515 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.504 -4.606 -14.171 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.048 -3.009 -13.613 1.00 0.00 H new ATOM 0 HD1 PHE A 30 8.919 -2.618 -11.064 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.810 -6.045 -12.763 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.188 -2.946 -8.993 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.066 -6.376 -10.679 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.754 -4.833 -8.790 1.00 0.00 H new ATOM 428 N HIS A 31 6.192 -3.043 -14.718 1.00 0.00 N ATOM 429 CA HIS A 31 5.309 -2.664 -15.836 1.00 0.00 C ATOM 430 C HIS A 31 6.174 -1.939 -16.887 1.00 0.00 C ATOM 431 O HIS A 31 7.198 -1.348 -16.523 1.00 0.00 O ATOM 432 CB HIS A 31 4.090 -1.740 -15.384 1.00 0.00 C ATOM 433 CG HIS A 31 3.845 -1.481 -13.888 1.00 0.00 C ATOM 434 ND1 HIS A 31 3.014 -0.486 -13.457 1.00 0.00 N ATOM 435 CD2 HIS A 31 4.517 -1.885 -12.782 1.00 0.00 C ATOM 436 CE1 HIS A 31 3.232 -0.306 -12.149 1.00 0.00 C ATOM 437 NE2 HIS A 31 4.166 -1.125 -11.686 1.00 0.00 N ATOM 0 H HIS A 31 6.249 -2.331 -13.990 1.00 0.00 H new ATOM 0 HA HIS A 31 4.858 -3.567 -16.247 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.220 -0.771 -15.865 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.180 -2.179 -15.792 1.00 0.00 H new ATOM 0 HD1 HIS A 31 2.346 0.029 -14.031 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.232 -2.694 -12.762 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.710 0.420 -11.543 1.00 0.00 H new ATOM 445 N GLN A 32 5.744 -1.975 -18.168 1.00 0.00 N ATOM 446 CA GLN A 32 6.438 -1.290 -19.293 1.00 0.00 C ATOM 447 C GLN A 32 6.890 0.145 -18.923 1.00 0.00 C ATOM 448 O GLN A 32 8.074 0.471 -19.011 1.00 0.00 O ATOM 449 CB GLN A 32 5.518 -1.214 -20.544 1.00 0.00 C ATOM 450 CG GLN A 32 5.140 -2.565 -21.180 1.00 0.00 C ATOM 451 CD GLN A 32 4.241 -2.398 -22.412 1.00 0.00 C ATOM 452 OE1 GLN A 32 3.396 -3.370 -22.684 1.00 0.00 O flip ATOM 453 NE2 GLN A 32 4.313 -1.400 -23.122 1.00 0.00 N flip ATOM 0 H GLN A 32 4.905 -2.479 -18.456 1.00 0.00 H new ATOM 0 HA GLN A 32 7.324 -1.886 -19.513 1.00 0.00 H new ATOM 0 HB2 GLN A 32 4.601 -0.695 -20.266 1.00 0.00 H new ATOM 0 HB3 GLN A 32 6.013 -0.604 -21.299 1.00 0.00 H new ATOM 0 HG2 GLN A 32 6.048 -3.096 -21.465 1.00 0.00 H new ATOM 0 HG3 GLN A 32 4.629 -3.182 -20.441 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.975 -0.658 -22.893 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.711 -1.312 -23.941 1.00 0.00 H new ATOM 462 N VAL A 33 5.929 0.964 -18.462 1.00 0.00 N ATOM 463 CA VAL A 33 6.164 2.385 -18.134 1.00 0.00 C ATOM 464 C VAL A 33 6.912 2.550 -16.783 1.00 0.00 C ATOM 465 O VAL A 33 7.536 3.581 -16.535 1.00 0.00 O ATOM 466 CB VAL A 33 4.813 3.205 -18.101 1.00 0.00 C ATOM 467 CG1 VAL A 33 3.972 2.967 -19.389 1.00 0.00 C ATOM 468 CG2 VAL A 33 3.984 2.899 -16.826 1.00 0.00 C ATOM 0 H VAL A 33 4.967 0.662 -18.306 1.00 0.00 H new ATOM 0 HA VAL A 33 6.795 2.785 -18.927 1.00 0.00 H new ATOM 0 HB VAL A 33 5.080 4.261 -18.069 1.00 0.00 H new ATOM 0 HG11 VAL A 33 3.050 3.546 -19.334 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.545 3.281 -20.261 1.00 0.00 H new ATOM 0 HG13 VAL A 33 3.731 1.908 -19.476 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.063 3.482 -16.842 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.740 1.837 -16.797 1.00 0.00 H new ATOM 0 HG23 VAL A 33 4.565 3.162 -15.942 1.00 0.00 H new ATOM 478 N CYS A 34 6.816 1.517 -15.907 1.00 0.00 N ATOM 479 CA CYS A 34 7.449 1.543 -14.559 1.00 0.00 C ATOM 480 C CYS A 34 8.988 1.512 -14.656 1.00 0.00 C ATOM 481 O CYS A 34 9.672 2.074 -13.802 1.00 0.00 O ATOM 482 CB CYS A 34 6.956 0.346 -13.726 1.00 0.00 C ATOM 483 SG CYS A 34 7.383 0.364 -11.951 1.00 0.00 S ATOM 0 H CYS A 34 6.307 0.656 -16.108 1.00 0.00 H new ATOM 0 HA CYS A 34 7.160 2.474 -14.071 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.871 0.290 -13.816 1.00 0.00 H new ATOM 0 HB3 CYS A 34 7.360 -0.566 -14.166 1.00 0.00 H new ATOM 488 N VAL A 35 9.504 0.840 -15.704 1.00 0.00 N ATOM 489 CA VAL A 35 10.955 0.649 -15.933 1.00 0.00 C ATOM 490 C VAL A 35 11.436 1.345 -17.226 1.00 0.00 C ATOM 491 O VAL A 35 12.643 1.526 -17.419 1.00 0.00 O ATOM 492 CB VAL A 35 11.318 -0.886 -15.980 1.00 0.00 C ATOM 493 CG1 VAL A 35 11.199 -1.523 -14.581 1.00 0.00 C ATOM 494 CG2 VAL A 35 10.425 -1.646 -16.995 1.00 0.00 C ATOM 0 H VAL A 35 8.923 0.410 -16.423 1.00 0.00 H new ATOM 0 HA VAL A 35 11.472 1.113 -15.093 1.00 0.00 H new ATOM 0 HB VAL A 35 12.353 -0.968 -16.311 1.00 0.00 H new ATOM 0 HG11 VAL A 35 11.454 -2.581 -14.640 1.00 0.00 H new ATOM 0 HG12 VAL A 35 11.882 -1.023 -13.894 1.00 0.00 H new ATOM 0 HG13 VAL A 35 10.177 -1.416 -14.218 1.00 0.00 H new ATOM 0 HG21 VAL A 35 10.700 -2.701 -17.003 1.00 0.00 H new ATOM 0 HG22 VAL A 35 9.379 -1.546 -16.705 1.00 0.00 H new ATOM 0 HG23 VAL A 35 10.567 -1.226 -17.991 1.00 0.00 H new ATOM 504 N GLY A 36 10.480 1.728 -18.098 1.00 0.00 N ATOM 505 CA GLY A 36 10.798 2.357 -19.393 1.00 0.00 C ATOM 506 C GLY A 36 11.303 1.348 -20.428 1.00 0.00 C ATOM 507 O GLY A 36 12.195 1.654 -21.229 1.00 0.00 O ATOM 0 H GLY A 36 9.481 1.612 -17.927 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.908 2.854 -19.780 1.00 0.00 H new ATOM 0 HA3 GLY A 36 11.554 3.128 -19.243 1.00 0.00 H new ATOM 511 N VAL A 37 10.717 0.134 -20.402 1.00 0.00 N ATOM 512 CA VAL A 37 11.086 -0.985 -21.299 1.00 0.00 C ATOM 513 C VAL A 37 9.899 -1.336 -22.226 1.00 0.00 C ATOM 514 O VAL A 37 8.749 -1.401 -21.773 1.00 0.00 O ATOM 515 CB VAL A 37 11.523 -2.254 -20.461 1.00 0.00 C ATOM 516 CG1 VAL A 37 11.679 -3.525 -21.329 1.00 0.00 C ATOM 517 CG2 VAL A 37 12.829 -1.978 -19.673 1.00 0.00 C ATOM 0 H VAL A 37 9.967 -0.102 -19.752 1.00 0.00 H new ATOM 0 HA VAL A 37 11.932 -0.673 -21.911 1.00 0.00 H new ATOM 0 HB VAL A 37 10.715 -2.446 -19.755 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.980 -4.362 -20.698 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.728 -3.756 -21.809 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.439 -3.354 -22.092 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.106 -2.867 -19.106 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.629 -1.728 -20.370 1.00 0.00 H new ATOM 0 HG23 VAL A 37 12.671 -1.145 -18.988 1.00 0.00 H new ATOM 527 N SER A 38 10.202 -1.539 -23.521 1.00 0.00 N ATOM 528 CA SER A 38 9.222 -1.976 -24.539 1.00 0.00 C ATOM 529 C SER A 38 8.825 -3.463 -24.318 1.00 0.00 C ATOM 530 O SER A 38 9.661 -4.256 -23.865 1.00 0.00 O ATOM 531 CB SER A 38 9.825 -1.770 -25.950 1.00 0.00 C ATOM 532 OG SER A 38 10.168 -0.412 -26.163 1.00 0.00 O ATOM 0 H SER A 38 11.141 -1.404 -23.896 1.00 0.00 H new ATOM 0 HA SER A 38 8.317 -1.376 -24.447 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.711 -2.395 -26.065 1.00 0.00 H new ATOM 0 HB3 SER A 38 9.108 -2.090 -26.706 1.00 0.00 H new ATOM 0 HG SER A 38 10.548 -0.307 -27.060 1.00 0.00 H new ATOM 538 N PRO A 39 7.548 -3.876 -24.654 1.00 0.00 N ATOM 539 CA PRO A 39 7.041 -5.260 -24.397 1.00 0.00 C ATOM 540 C PRO A 39 7.827 -6.364 -25.150 1.00 0.00 C ATOM 541 O PRO A 39 7.783 -7.538 -24.759 1.00 0.00 O ATOM 542 CB PRO A 39 5.557 -5.190 -24.853 1.00 0.00 C ATOM 543 CG PRO A 39 5.516 -4.058 -25.827 1.00 0.00 C ATOM 544 CD PRO A 39 6.498 -3.036 -25.307 1.00 0.00 C ATOM 0 HA PRO A 39 7.161 -5.544 -23.351 1.00 0.00 H new ATOM 0 HB2 PRO A 39 5.240 -6.124 -25.317 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.891 -5.011 -24.009 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.791 -4.392 -26.827 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.513 -3.637 -25.896 1.00 0.00 H new ATOM 0 HD2 PRO A 39 6.911 -2.428 -26.112 1.00 0.00 H new ATOM 0 HD3 PRO A 39 6.031 -2.352 -24.599 1.00 0.00 H new ATOM 552 N GLU A 40 8.533 -5.970 -26.225 1.00 0.00 N ATOM 553 CA GLU A 40 9.444 -6.862 -26.977 1.00 0.00 C ATOM 554 C GLU A 40 10.609 -7.366 -26.085 1.00 0.00 C ATOM 555 O GLU A 40 10.877 -8.572 -26.018 1.00 0.00 O ATOM 556 CB GLU A 40 9.976 -6.135 -28.249 1.00 0.00 C ATOM 557 CG GLU A 40 10.618 -4.755 -27.979 1.00 0.00 C ATOM 558 CD GLU A 40 11.183 -4.075 -29.234 1.00 0.00 C ATOM 559 OE1 GLU A 40 12.372 -4.292 -29.553 1.00 0.00 O ATOM 560 OE2 GLU A 40 10.453 -3.319 -29.905 1.00 0.00 O ATOM 0 H GLU A 40 8.490 -5.023 -26.600 1.00 0.00 H new ATOM 0 HA GLU A 40 8.881 -7.741 -27.292 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.712 -6.775 -28.736 1.00 0.00 H new ATOM 0 HB3 GLU A 40 9.151 -6.007 -28.950 1.00 0.00 H new ATOM 0 HG2 GLU A 40 9.872 -4.100 -27.528 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.420 -4.875 -27.250 1.00 0.00 H new ATOM 567 N MET A 41 11.273 -6.429 -25.383 1.00 0.00 N ATOM 568 CA MET A 41 12.352 -6.713 -24.448 1.00 0.00 C ATOM 569 C MET A 41 11.787 -7.317 -23.149 1.00 0.00 C ATOM 570 O MET A 41 12.449 -8.113 -22.483 1.00 0.00 O ATOM 571 CB MET A 41 13.104 -5.389 -24.164 1.00 0.00 C ATOM 572 CG MET A 41 14.228 -5.504 -23.154 1.00 0.00 C ATOM 573 SD MET A 41 15.087 -3.939 -22.872 1.00 0.00 S ATOM 574 CE MET A 41 16.290 -4.422 -21.633 1.00 0.00 C ATOM 0 H MET A 41 11.061 -5.434 -25.459 1.00 0.00 H new ATOM 0 HA MET A 41 13.042 -7.442 -24.874 1.00 0.00 H new ATOM 0 HB2 MET A 41 13.513 -5.011 -25.101 1.00 0.00 H new ATOM 0 HB3 MET A 41 12.387 -4.649 -23.807 1.00 0.00 H new ATOM 0 HG2 MET A 41 13.824 -5.866 -22.209 1.00 0.00 H new ATOM 0 HG3 MET A 41 14.945 -6.249 -23.500 1.00 0.00 H new ATOM 0 HE1 MET A 41 16.896 -3.559 -21.358 1.00 0.00 H new ATOM 0 HE2 MET A 41 15.772 -4.798 -20.750 1.00 0.00 H new ATOM 0 HE3 MET A 41 16.934 -5.204 -22.036 1.00 0.00 H new ATOM 584 N ALA A 42 10.544 -6.926 -22.817 1.00 0.00 N ATOM 585 CA ALA A 42 9.833 -7.410 -21.621 1.00 0.00 C ATOM 586 C ALA A 42 9.423 -8.895 -21.752 1.00 0.00 C ATOM 587 O ALA A 42 9.155 -9.561 -20.748 1.00 0.00 O ATOM 588 CB ALA A 42 8.612 -6.518 -21.332 1.00 0.00 C ATOM 0 H ALA A 42 10.003 -6.263 -23.372 1.00 0.00 H new ATOM 0 HA ALA A 42 10.519 -7.347 -20.776 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.094 -6.886 -20.446 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.942 -5.493 -21.161 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.933 -6.543 -22.185 1.00 0.00 H new ATOM 594 N GLU A 43 9.359 -9.387 -22.999 1.00 0.00 N ATOM 595 CA GLU A 43 9.079 -10.802 -23.313 1.00 0.00 C ATOM 596 C GLU A 43 10.393 -11.602 -23.441 1.00 0.00 C ATOM 597 O GLU A 43 10.509 -12.726 -22.925 1.00 0.00 O ATOM 598 CB GLU A 43 8.281 -10.883 -24.640 1.00 0.00 C ATOM 599 CG GLU A 43 7.954 -12.312 -25.125 1.00 0.00 C ATOM 600 CD GLU A 43 7.173 -12.334 -26.451 1.00 0.00 C ATOM 601 OE1 GLU A 43 7.815 -12.326 -27.525 1.00 0.00 O ATOM 602 OE2 GLU A 43 5.921 -12.333 -26.423 1.00 0.00 O ATOM 0 H GLU A 43 9.501 -8.810 -23.828 1.00 0.00 H new ATOM 0 HA GLU A 43 8.492 -11.235 -22.503 1.00 0.00 H new ATOM 0 HB2 GLU A 43 7.346 -10.336 -24.517 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.849 -10.374 -25.418 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.883 -12.869 -25.248 1.00 0.00 H new ATOM 0 HG3 GLU A 43 7.373 -12.825 -24.359 1.00 0.00 H new ATOM 609 N LYS A 44 11.368 -11.010 -24.153 1.00 0.00 N ATOM 610 CA LYS A 44 12.637 -11.678 -24.512 1.00 0.00 C ATOM 611 C LYS A 44 13.580 -11.822 -23.300 1.00 0.00 C ATOM 612 O LYS A 44 14.079 -12.917 -23.001 1.00 0.00 O ATOM 613 CB LYS A 44 13.341 -10.871 -25.636 1.00 0.00 C ATOM 614 CG LYS A 44 14.629 -11.528 -26.182 1.00 0.00 C ATOM 615 CD LYS A 44 15.387 -10.624 -27.174 1.00 0.00 C ATOM 616 CE LYS A 44 14.555 -10.250 -28.413 1.00 0.00 C ATOM 617 NZ LYS A 44 15.309 -9.373 -29.340 1.00 0.00 N ATOM 0 H LYS A 44 11.300 -10.052 -24.498 1.00 0.00 H new ATOM 0 HA LYS A 44 12.401 -12.683 -24.861 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.641 -10.732 -26.460 1.00 0.00 H new ATOM 0 HB3 LYS A 44 13.586 -9.879 -25.256 1.00 0.00 H new ATOM 0 HG2 LYS A 44 15.286 -11.776 -25.349 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.372 -12.465 -26.675 1.00 0.00 H new ATOM 0 HD2 LYS A 44 15.694 -9.712 -26.662 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.297 -11.131 -27.495 1.00 0.00 H new ATOM 0 HE2 LYS A 44 14.254 -11.158 -28.936 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.641 -9.746 -28.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.714 -9.144 -30.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.575 -8.496 -28.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 16.168 -9.864 -29.661 1.00 0.00 H new ATOM 631 N GLU A 45 13.799 -10.698 -22.609 1.00 0.00 N ATOM 632 CA GLU A 45 14.865 -10.544 -21.598 1.00 0.00 C ATOM 633 C GLU A 45 14.276 -10.308 -20.205 1.00 0.00 C ATOM 634 O GLU A 45 13.216 -9.690 -20.074 1.00 0.00 O ATOM 635 CB GLU A 45 15.780 -9.355 -21.996 1.00 0.00 C ATOM 636 CG GLU A 45 16.410 -9.497 -23.391 1.00 0.00 C ATOM 637 CD GLU A 45 17.248 -8.284 -23.800 1.00 0.00 C ATOM 638 OE1 GLU A 45 18.435 -8.224 -23.439 1.00 0.00 O ATOM 639 OE2 GLU A 45 16.727 -7.389 -24.482 1.00 0.00 O ATOM 0 H GLU A 45 13.237 -9.856 -22.734 1.00 0.00 H new ATOM 0 HA GLU A 45 15.448 -11.464 -21.563 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.198 -8.434 -21.962 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.575 -9.257 -21.257 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.038 -10.388 -23.410 1.00 0.00 H new ATOM 0 HG3 GLU A 45 15.619 -9.649 -24.126 1.00 0.00 H new ATOM 646 N ASP A 46 14.982 -10.810 -19.174 1.00 0.00 N ATOM 647 CA ASP A 46 14.666 -10.529 -17.762 1.00 0.00 C ATOM 648 C ASP A 46 15.200 -9.134 -17.410 1.00 0.00 C ATOM 649 O ASP A 46 16.306 -8.782 -17.837 1.00 0.00 O ATOM 650 CB ASP A 46 15.319 -11.592 -16.829 1.00 0.00 C ATOM 651 CG ASP A 46 14.868 -11.458 -15.363 1.00 0.00 C ATOM 652 OD1 ASP A 46 13.714 -11.816 -15.079 1.00 0.00 O ATOM 653 OD2 ASP A 46 15.650 -10.992 -14.494 1.00 0.00 O ATOM 0 H ASP A 46 15.788 -11.422 -19.298 1.00 0.00 H new ATOM 0 HA ASP A 46 13.586 -10.569 -17.619 1.00 0.00 H new ATOM 0 HB2 ASP A 46 15.069 -12.589 -17.191 1.00 0.00 H new ATOM 0 HB3 ASP A 46 16.404 -11.497 -16.881 1.00 0.00 H new ATOM 658 N TYR A 47 14.424 -8.349 -16.643 1.00 0.00 N ATOM 659 CA TYR A 47 14.867 -7.033 -16.157 1.00 0.00 C ATOM 660 C TYR A 47 15.851 -7.237 -15.001 1.00 0.00 C ATOM 661 O TYR A 47 15.501 -7.080 -13.840 1.00 0.00 O ATOM 662 CB TYR A 47 13.650 -6.149 -15.734 1.00 0.00 C ATOM 663 CG TYR A 47 14.030 -4.786 -15.118 1.00 0.00 C ATOM 664 CD1 TYR A 47 14.722 -3.826 -15.862 1.00 0.00 C ATOM 665 CD2 TYR A 47 13.713 -4.476 -13.789 1.00 0.00 C ATOM 666 CE1 TYR A 47 15.094 -2.617 -15.298 1.00 0.00 C ATOM 667 CE2 TYR A 47 14.080 -3.269 -13.229 1.00 0.00 C ATOM 668 CZ TYR A 47 14.764 -2.343 -13.987 1.00 0.00 C ATOM 669 OH TYR A 47 15.128 -1.141 -13.425 1.00 0.00 O ATOM 0 H TYR A 47 13.483 -8.606 -16.346 1.00 0.00 H new ATOM 0 HA TYR A 47 15.373 -6.499 -16.961 1.00 0.00 H new ATOM 0 HB2 TYR A 47 13.022 -5.976 -16.608 1.00 0.00 H new ATOM 0 HB3 TYR A 47 13.048 -6.703 -15.014 1.00 0.00 H new ATOM 0 HD1 TYR A 47 14.971 -4.030 -16.893 1.00 0.00 H new ATOM 0 HD2 TYR A 47 13.172 -5.195 -13.192 1.00 0.00 H new ATOM 0 HE1 TYR A 47 15.640 -1.892 -15.882 1.00 0.00 H new ATOM 0 HE2 TYR A 47 13.832 -3.051 -12.201 1.00 0.00 H new ATOM 0 HH TYR A 47 14.818 -1.107 -12.496 1.00 0.00 H new ATOM 679 N ILE A 48 17.088 -7.623 -15.327 1.00 0.00 N ATOM 680 CA ILE A 48 18.116 -7.823 -14.303 1.00 0.00 C ATOM 681 C ILE A 48 18.623 -6.436 -13.899 1.00 0.00 C ATOM 682 O ILE A 48 19.418 -5.824 -14.624 1.00 0.00 O ATOM 683 CB ILE A 48 19.301 -8.727 -14.819 1.00 0.00 C ATOM 684 CG1 ILE A 48 18.751 -10.051 -15.446 1.00 0.00 C ATOM 685 CG2 ILE A 48 20.296 -9.035 -13.672 1.00 0.00 C ATOM 686 CD1 ILE A 48 19.804 -10.978 -16.044 1.00 0.00 C ATOM 0 H ILE A 48 17.399 -7.802 -16.282 1.00 0.00 H new ATOM 0 HA ILE A 48 17.690 -8.349 -13.449 1.00 0.00 H new ATOM 0 HB ILE A 48 19.836 -8.179 -15.594 1.00 0.00 H new ATOM 0 HG12 ILE A 48 18.205 -10.598 -14.677 1.00 0.00 H new ATOM 0 HG13 ILE A 48 18.033 -9.794 -16.225 1.00 0.00 H new ATOM 0 HG21 ILE A 48 21.105 -9.660 -14.050 1.00 0.00 H new ATOM 0 HG22 ILE A 48 20.707 -8.102 -13.287 1.00 0.00 H new ATOM 0 HG23 ILE A 48 19.776 -9.560 -12.871 1.00 0.00 H new ATOM 0 HD11 ILE A 48 19.319 -11.865 -16.451 1.00 0.00 H new ATOM 0 HD12 ILE A 48 20.337 -10.458 -16.840 1.00 0.00 H new ATOM 0 HD13 ILE A 48 20.510 -11.274 -15.269 1.00 0.00 H new ATOM 698 N CYS A 49 18.115 -5.934 -12.754 1.00 0.00 N ATOM 699 CA CYS A 49 18.424 -4.576 -12.288 1.00 0.00 C ATOM 700 C CYS A 49 19.845 -4.562 -11.702 1.00 0.00 C ATOM 701 O CYS A 49 20.272 -5.572 -11.134 1.00 0.00 O ATOM 702 CB CYS A 49 17.352 -4.052 -11.285 1.00 0.00 C ATOM 703 SG CYS A 49 17.437 -4.684 -9.575 1.00 0.00 S ATOM 0 H CYS A 49 17.489 -6.453 -12.138 1.00 0.00 H new ATOM 0 HA CYS A 49 18.393 -3.886 -13.131 1.00 0.00 H new ATOM 0 HB2 CYS A 49 17.425 -2.965 -11.248 1.00 0.00 H new ATOM 0 HB3 CYS A 49 16.367 -4.292 -11.686 1.00 0.00 H new ATOM 708 N VAL A 50 20.542 -3.416 -11.837 1.00 0.00 N ATOM 709 CA VAL A 50 22.019 -3.273 -11.626 1.00 0.00 C ATOM 710 C VAL A 50 22.570 -3.958 -10.339 1.00 0.00 C ATOM 711 O VAL A 50 23.683 -4.497 -10.348 1.00 0.00 O ATOM 712 CB VAL A 50 22.445 -1.753 -11.635 1.00 0.00 C ATOM 713 CG1 VAL A 50 22.154 -1.092 -13.011 1.00 0.00 C ATOM 714 CG2 VAL A 50 21.755 -0.973 -10.483 1.00 0.00 C ATOM 0 H VAL A 50 20.095 -2.538 -12.101 1.00 0.00 H new ATOM 0 HA VAL A 50 22.467 -3.803 -12.467 1.00 0.00 H new ATOM 0 HB VAL A 50 23.522 -1.711 -11.470 1.00 0.00 H new ATOM 0 HG11 VAL A 50 22.459 -0.046 -12.984 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.712 -1.612 -13.790 1.00 0.00 H new ATOM 0 HG13 VAL A 50 21.087 -1.154 -13.226 1.00 0.00 H new ATOM 0 HG21 VAL A 50 22.066 0.071 -10.513 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.673 -1.033 -10.600 1.00 0.00 H new ATOM 0 HG23 VAL A 50 22.041 -1.409 -9.526 1.00 0.00 H new ATOM 724 N ARG A 51 21.773 -3.936 -9.258 1.00 0.00 N ATOM 725 CA ARG A 51 22.132 -4.552 -7.959 1.00 0.00 C ATOM 726 C ARG A 51 22.289 -6.082 -8.105 1.00 0.00 C ATOM 727 O ARG A 51 23.256 -6.684 -7.626 1.00 0.00 O ATOM 728 CB ARG A 51 21.041 -4.230 -6.906 1.00 0.00 C ATOM 729 CG ARG A 51 20.790 -2.723 -6.669 1.00 0.00 C ATOM 730 CD ARG A 51 19.702 -2.482 -5.610 1.00 0.00 C ATOM 731 NE ARG A 51 19.444 -1.054 -5.353 1.00 0.00 N ATOM 732 CZ ARG A 51 18.922 -0.562 -4.220 1.00 0.00 C ATOM 733 NH1 ARG A 51 18.689 -1.360 -3.174 1.00 0.00 N ATOM 734 NH2 ARG A 51 18.677 0.736 -4.125 1.00 0.00 N ATOM 0 H ARG A 51 20.856 -3.489 -9.255 1.00 0.00 H new ATOM 0 HA ARG A 51 23.085 -4.138 -7.630 1.00 0.00 H new ATOM 0 HB2 ARG A 51 20.106 -4.694 -7.219 1.00 0.00 H new ATOM 0 HB3 ARG A 51 21.324 -4.690 -5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 51 21.717 -2.246 -6.352 1.00 0.00 H new ATOM 0 HG3 ARG A 51 20.494 -2.252 -7.607 1.00 0.00 H new ATOM 0 HD2 ARG A 51 18.777 -2.958 -5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 51 19.999 -2.964 -4.678 1.00 0.00 H new ATOM 0 HE ARG A 51 19.680 -0.391 -6.091 1.00 0.00 H new ATOM 0 HH11 ARG A 51 18.909 -2.354 -3.232 1.00 0.00 H new ATOM 0 HH12 ARG A 51 18.292 -0.975 -2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 51 18.885 1.353 -4.910 1.00 0.00 H new ATOM 0 HH22 ARG A 51 18.280 1.119 -3.267 1.00 0.00 H new ATOM 748 N CYS A 52 21.319 -6.675 -8.802 1.00 0.00 N ATOM 749 CA CYS A 52 21.277 -8.119 -9.100 1.00 0.00 C ATOM 750 C CYS A 52 22.307 -8.508 -10.173 1.00 0.00 C ATOM 751 O CYS A 52 22.770 -9.646 -10.196 1.00 0.00 O ATOM 752 CB CYS A 52 19.860 -8.501 -9.557 1.00 0.00 C ATOM 753 SG CYS A 52 18.595 -8.044 -8.354 1.00 0.00 S ATOM 0 H CYS A 52 20.524 -6.163 -9.185 1.00 0.00 H new ATOM 0 HA CYS A 52 21.533 -8.665 -8.192 1.00 0.00 H new ATOM 0 HB2 CYS A 52 19.645 -8.013 -10.508 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.817 -9.576 -9.734 1.00 0.00 H new ATOM 758 N THR A 53 22.642 -7.561 -11.060 1.00 0.00 N ATOM 759 CA THR A 53 23.614 -7.780 -12.147 1.00 0.00 C ATOM 760 C THR A 53 25.038 -7.993 -11.575 1.00 0.00 C ATOM 761 O THR A 53 25.707 -8.989 -11.890 1.00 0.00 O ATOM 762 CB THR A 53 23.603 -6.573 -13.140 1.00 0.00 C ATOM 763 OG1 THR A 53 22.248 -6.291 -13.533 1.00 0.00 O ATOM 764 CG2 THR A 53 24.461 -6.829 -14.394 1.00 0.00 C ATOM 0 H THR A 53 22.248 -6.620 -11.047 1.00 0.00 H new ATOM 0 HA THR A 53 23.323 -8.680 -12.688 1.00 0.00 H new ATOM 0 HB THR A 53 24.038 -5.719 -12.620 1.00 0.00 H new ATOM 0 HG1 THR A 53 22.239 -5.533 -14.155 1.00 0.00 H new ATOM 0 HG21 THR A 53 24.417 -5.959 -15.049 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.494 -7.008 -14.097 1.00 0.00 H new ATOM 0 HG23 THR A 53 24.079 -7.701 -14.924 1.00 0.00 H new ATOM 772 N VAL A 54 25.464 -7.062 -10.703 1.00 0.00 N ATOM 773 CA VAL A 54 26.797 -7.084 -10.072 1.00 0.00 C ATOM 774 C VAL A 54 26.908 -8.198 -8.998 1.00 0.00 C ATOM 775 O VAL A 54 27.965 -8.827 -8.841 1.00 0.00 O ATOM 776 CB VAL A 54 27.153 -5.670 -9.465 1.00 0.00 C ATOM 777 CG1 VAL A 54 26.183 -5.251 -8.320 1.00 0.00 C ATOM 778 CG2 VAL A 54 28.634 -5.604 -9.012 1.00 0.00 C ATOM 0 H VAL A 54 24.891 -6.269 -10.414 1.00 0.00 H new ATOM 0 HA VAL A 54 27.525 -7.314 -10.850 1.00 0.00 H new ATOM 0 HB VAL A 54 27.019 -4.943 -10.266 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.472 -4.272 -7.938 1.00 0.00 H new ATOM 0 HG12 VAL A 54 25.164 -5.204 -8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.233 -5.984 -7.515 1.00 0.00 H new ATOM 0 HG21 VAL A 54 28.845 -4.617 -8.599 1.00 0.00 H new ATOM 0 HG22 VAL A 54 28.816 -6.362 -8.250 1.00 0.00 H new ATOM 0 HG23 VAL A 54 29.285 -5.786 -9.867 1.00 0.00 H new ATOM 788 N LYS A 55 25.788 -8.476 -8.306 1.00 0.00 N ATOM 789 CA LYS A 55 25.743 -9.440 -7.197 1.00 0.00 C ATOM 790 C LYS A 55 24.928 -10.681 -7.623 1.00 0.00 C ATOM 791 O LYS A 55 24.229 -11.307 -6.819 1.00 0.00 O ATOM 792 CB LYS A 55 25.180 -8.737 -5.920 1.00 0.00 C ATOM 793 CG LYS A 55 25.421 -9.522 -4.608 1.00 0.00 C ATOM 794 CD LYS A 55 25.129 -8.715 -3.329 1.00 0.00 C ATOM 795 CE LYS A 55 25.467 -9.512 -2.059 1.00 0.00 C ATOM 796 NZ LYS A 55 25.308 -8.697 -0.836 1.00 0.00 N ATOM 0 H LYS A 55 24.889 -8.037 -8.502 1.00 0.00 H new ATOM 0 HA LYS A 55 26.744 -9.793 -6.948 1.00 0.00 H new ATOM 0 HB2 LYS A 55 25.636 -7.751 -5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 55 24.109 -8.582 -6.046 1.00 0.00 H new ATOM 0 HG2 LYS A 55 24.796 -10.415 -4.612 1.00 0.00 H new ATOM 0 HG3 LYS A 55 26.458 -9.858 -4.584 1.00 0.00 H new ATOM 0 HD2 LYS A 55 25.707 -7.791 -3.343 1.00 0.00 H new ATOM 0 HD3 LYS A 55 24.077 -8.432 -3.311 1.00 0.00 H new ATOM 0 HE2 LYS A 55 24.821 -10.388 -1.998 1.00 0.00 H new ATOM 0 HE3 LYS A 55 26.492 -9.876 -2.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 25.546 -9.272 -0.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 25.943 -7.875 -0.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 24.323 -8.370 -0.762 1.00 0.00 H new ATOM 810 N ASP A 56 25.053 -11.036 -8.918 1.00 0.00 N ATOM 811 CA ASP A 56 24.571 -12.324 -9.464 1.00 0.00 C ATOM 812 C ASP A 56 25.583 -13.415 -9.068 1.00 0.00 C ATOM 813 O ASP A 56 26.377 -13.877 -9.892 1.00 0.00 O ATOM 814 CB ASP A 56 24.391 -12.235 -11.012 1.00 0.00 C ATOM 815 CG ASP A 56 23.794 -13.513 -11.643 1.00 0.00 C ATOM 816 OD1 ASP A 56 22.571 -13.728 -11.528 1.00 0.00 O ATOM 817 OD2 ASP A 56 24.546 -14.307 -12.249 1.00 0.00 O ATOM 0 H ASP A 56 25.492 -10.437 -9.617 1.00 0.00 H new ATOM 0 HA ASP A 56 23.593 -12.571 -9.052 1.00 0.00 H new ATOM 0 HB2 ASP A 56 23.744 -11.389 -11.246 1.00 0.00 H new ATOM 0 HB3 ASP A 56 25.359 -12.032 -11.470 1.00 0.00 H new ATOM 822 N ALA A 57 25.598 -13.712 -7.757 1.00 0.00 N ATOM 823 CA ALA A 57 26.590 -14.592 -7.105 1.00 0.00 C ATOM 824 C ALA A 57 28.004 -13.968 -7.231 1.00 0.00 C ATOM 825 O ALA A 57 28.758 -14.310 -8.149 1.00 0.00 O ATOM 826 CB ALA A 57 26.532 -16.045 -7.640 1.00 0.00 C ATOM 0 H ALA A 57 24.907 -13.340 -7.105 1.00 0.00 H new ATOM 0 HA ALA A 57 26.342 -14.665 -6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 57 27.280 -16.651 -7.129 1.00 0.00 H new ATOM 0 HB2 ALA A 57 25.541 -16.461 -7.457 1.00 0.00 H new ATOM 0 HB3 ALA A 57 26.734 -16.047 -8.711 1.00 0.00 H new ATOM 832 N PRO A 58 28.373 -13.002 -6.321 1.00 0.00 N ATOM 833 CA PRO A 58 29.634 -12.215 -6.442 1.00 0.00 C ATOM 834 C PRO A 58 30.905 -13.020 -6.069 1.00 0.00 C ATOM 835 O PRO A 58 32.029 -12.538 -6.252 1.00 0.00 O ATOM 836 CB PRO A 58 29.386 -11.040 -5.463 1.00 0.00 C ATOM 837 CG PRO A 58 28.540 -11.645 -4.387 1.00 0.00 C ATOM 838 CD PRO A 58 27.606 -12.604 -5.102 1.00 0.00 C ATOM 0 HA PRO A 58 29.834 -11.905 -7.468 1.00 0.00 H new ATOM 0 HB2 PRO A 58 30.321 -10.648 -5.064 1.00 0.00 H new ATOM 0 HB3 PRO A 58 28.876 -10.211 -5.954 1.00 0.00 H new ATOM 0 HG2 PRO A 58 29.153 -12.167 -3.652 1.00 0.00 H new ATOM 0 HG3 PRO A 58 27.981 -10.879 -3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 58 27.365 -13.467 -4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 58 26.662 -12.125 -5.361 1.00 0.00 H new ATOM 846 N SER A 59 30.698 -14.234 -5.538 1.00 0.00 N ATOM 847 CA SER A 59 31.772 -15.164 -5.171 1.00 0.00 C ATOM 848 C SER A 59 31.207 -16.596 -5.139 1.00 0.00 C ATOM 849 O SER A 59 30.041 -16.799 -4.764 1.00 0.00 O ATOM 850 CB SER A 59 32.380 -14.774 -3.801 1.00 0.00 C ATOM 851 OG SER A 59 33.483 -15.595 -3.459 1.00 0.00 O ATOM 0 H SER A 59 29.765 -14.601 -5.349 1.00 0.00 H new ATOM 0 HA SER A 59 32.570 -15.114 -5.912 1.00 0.00 H new ATOM 0 HB2 SER A 59 32.698 -13.732 -3.829 1.00 0.00 H new ATOM 0 HB3 SER A 59 31.615 -14.854 -3.029 1.00 0.00 H new ATOM 0 HG SER A 59 33.840 -15.317 -2.590 1.00 0.00 H new ATOM 857 N ARG A 60 32.035 -17.576 -5.532 1.00 0.00 N ATOM 858 CA ARG A 60 31.649 -19.002 -5.579 1.00 0.00 C ATOM 859 C ARG A 60 32.890 -19.890 -5.391 1.00 0.00 C ATOM 860 O ARG A 60 34.024 -19.419 -5.521 1.00 0.00 O ATOM 861 CB ARG A 60 30.926 -19.339 -6.914 1.00 0.00 C ATOM 862 CG ARG A 60 31.751 -19.054 -8.193 1.00 0.00 C ATOM 863 CD ARG A 60 31.044 -19.538 -9.473 1.00 0.00 C ATOM 864 NE ARG A 60 31.790 -19.183 -10.702 1.00 0.00 N ATOM 865 CZ ARG A 60 31.998 -19.994 -11.757 1.00 0.00 C ATOM 866 NH1 ARG A 60 31.649 -21.280 -11.713 1.00 0.00 N ATOM 867 NH2 ARG A 60 32.574 -19.511 -12.844 1.00 0.00 N ATOM 0 H ARG A 60 32.996 -17.405 -5.828 1.00 0.00 H new ATOM 0 HA ARG A 60 30.952 -19.199 -4.765 1.00 0.00 H new ATOM 0 HB2 ARG A 60 30.650 -20.394 -6.905 1.00 0.00 H new ATOM 0 HB3 ARG A 60 29.999 -18.768 -6.962 1.00 0.00 H new ATOM 0 HG2 ARG A 60 31.939 -17.983 -8.269 1.00 0.00 H new ATOM 0 HG3 ARG A 60 32.722 -19.543 -8.111 1.00 0.00 H new ATOM 0 HD2 ARG A 60 30.918 -20.620 -9.428 1.00 0.00 H new ATOM 0 HD3 ARG A 60 30.046 -19.103 -9.519 1.00 0.00 H new ATOM 0 HE ARG A 60 32.180 -18.242 -10.754 1.00 0.00 H new ATOM 0 HH11 ARG A 60 31.218 -21.663 -10.872 1.00 0.00 H new ATOM 0 HH12 ARG A 60 31.813 -21.881 -12.521 1.00 0.00 H new ATOM 0 HH21 ARG A 60 32.857 -18.532 -12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 60 32.736 -20.118 -13.648 1.00 0.00 H new ATOM 881 N LYS A 61 32.652 -21.176 -5.092 1.00 0.00 N ATOM 882 CA LYS A 61 33.710 -22.157 -4.785 1.00 0.00 C ATOM 883 C LYS A 61 33.284 -23.565 -5.282 1.00 0.00 C ATOM 884 O LYS A 61 32.198 -24.041 -4.895 1.00 0.00 O ATOM 885 CB LYS A 61 34.049 -22.149 -3.258 1.00 0.00 C ATOM 886 CG LYS A 61 32.819 -22.130 -2.315 1.00 0.00 C ATOM 887 CD LYS A 61 33.200 -22.272 -0.819 1.00 0.00 C ATOM 888 CE LYS A 61 31.992 -22.092 0.116 1.00 0.00 C ATOM 889 NZ LYS A 61 30.894 -23.061 -0.159 1.00 0.00 N ATOM 890 OXT LYS A 61 34.035 -24.188 -6.067 1.00 0.00 O ATOM 0 H LYS A 61 31.712 -21.570 -5.056 1.00 0.00 H new ATOM 0 HA LYS A 61 34.622 -21.878 -5.312 1.00 0.00 H new ATOM 0 HB2 LYS A 61 34.650 -23.029 -3.030 1.00 0.00 H new ATOM 0 HB3 LYS A 61 34.667 -21.277 -3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 61 32.273 -21.198 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 61 32.144 -22.940 -2.591 1.00 0.00 H new ATOM 0 HD2 LYS A 61 33.642 -23.254 -0.652 1.00 0.00 H new ATOM 0 HD3 LYS A 61 33.962 -21.533 -0.570 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.319 -22.206 1.149 1.00 0.00 H new ATOM 0 HE3 LYS A 61 31.608 -21.077 0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.130 -22.925 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 30.524 -22.904 -1.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 31.261 -24.031 -0.084 1.00 0.00 H new TER 904 LYS A 61 HETATM 905 ZN ZN A 101 5.726 -0.435 -10.483 1.00 0.00 ZN HETATM 906 ZN ZN A 102 16.724 -6.884 -9.136 1.00 0.00 ZN